 Entering Gaussian System, Link 0=g16
 Input=14_bornylOAc_STD_M11-def2SVPDr.in
 Output=14_bornylOAc_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
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                 11.124501923            0.44241976651
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            ****
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            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
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            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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                  2.2546815460           0.72619456861
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            P    3   1.00
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                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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                  2.5207180000          -1.0707548832
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
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                 11.547491000            1.5261602829
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
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            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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            S    1   1.00
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                  6.3036410000          -0.56379438345
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                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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            P    4   1.00
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                  6.2456140000          -0.44863071815131
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                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
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            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
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            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/14_bornylOAc_STD/Gau-74258.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/14_bornylOAc_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     74259.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=14_bornylOAc_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 19:28:19 2021, MaxMem= 17179869184 cpu:               1.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "14_bornylOAc_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.240639000000     -1.220521000000     -1.593952000000
  C                                                -0.772379000000     -1.711714000000     -0.196556000000
  C                                                -1.356487000000      0.301932000000     -1.398559000000
  C                                                 0.077396000000      0.849484000000     -1.275021000000
  C                                                 0.495406000000      0.398364000000      0.144405000000
  C                                                -0.704790000000     -0.420476000000      0.653009000000
  H                                                -2.195583000000     -1.663465000000     -1.875848000000
  H                                                -0.528201000000     -1.466626000000     -2.381766000000
  H                                                 0.193323000000     -2.210778000000     -0.227221000000
  H                                                -1.481233000000     -2.413249000000      0.242895000000
  C                                                -1.888350000000      0.419572000000      0.056917000000
  H                                                -1.959508000000      0.805110000000     -2.154682000000
  H                                                 0.128882000000      1.932113000000     -1.369936000000
  H                                                 0.741881000000      0.427523000000     -2.028774000000
  H                                                 0.689863000000      1.251037000000      0.790022000000
  O                                                 1.689332000000     -0.414672000000      0.164040000000
  C                                                -0.691646000000     -0.656663000000      2.148773000000
  C                                                -3.263934000000     -0.215407000000      0.272245000000
  C                                                -1.976808000000      1.860613000000      0.570939000000
  H                                                 0.188258000000     -1.234779000000      2.438218000000
  H                                                -1.573690000000     -1.214726000000      2.468040000000
  H                                                -0.666490000000      0.284659000000      2.701973000000
  H                                                -3.312198000000     -1.262484000000     -0.016360000000
  H                                                -4.016543000000      0.322861000000     -0.308315000000
  H                                                -3.555175000000     -0.148366000000      1.322428000000
  H                                                -1.062281000000      2.434735000000      0.442068000000
  H                                                -2.228382000000      1.873406000000      1.633417000000
  H                                                -2.771733000000      2.392658000000      0.043778000000
  C                                                 2.862479000000      0.235712000000      0.052007000000
  C                                                 4.017566000000     -0.727490000000      0.101407000000
  O                                                 2.958317000000      1.430494000000     -0.072931000000
  H                                                 3.985571000000     -1.302060000000      1.027842000000
  H                                                 4.952347000000     -0.178454000000      0.034385000000
  H                                                 3.942814000000     -1.436137000000     -0.724719000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     34 NQM=       34 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1          16          12          12          12           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           1           1           1           1           0           0           0           0           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        31          32          33          34
 IAtWgt=          16           1           1           1
 AtmWgt=  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1
 AtZEff=   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   8.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 19:28:19 2021, MaxMem= 17179869184 cpu:               1.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.553465   0.000000
     3  C    1.539306   2.416767   0.000000
     4  C    2.474642   2.906018   1.539836   0.000000
     5  C    2.942197   2.485148   2.412373   1.546936   0.000000
     6  C    2.444594   1.547134   2.270576   2.437604   1.539366
     7  H    1.089763   2.201785   2.189674   3.441270   3.946389
     8  H    1.090315   2.212427   2.186447   2.637423   3.302650
     9  H    2.214680   1.087468   3.176107   3.236746   2.652731
    10  H    2.203291   1.089836   3.175239   3.921584   3.438309
    11  C    2.415534   2.419095   1.554068   2.413098   2.385455
    12  H    2.221345   3.402637   1.090204   2.219178   3.387897
    13  H    3.444542   3.932756   2.205591   1.088001   2.186311
    14  H    2.614480   3.197865   2.194560   1.089833   2.187306
    15  H    3.939387   3.448098   3.142966   2.191064   1.087054
    16  O    3.510649   2.805774   3.497463   2.503463   1.444601
    17  C    3.824568   2.572979   3.734231   3.818674   2.557277
    18  C    2.930302   2.943901   2.587968   3.833081   3.811259
    19  C    3.836937   3.847235   2.587123   2.941038   2.903781
    20  H    4.277890   2.844701   4.412321   4.259646   2.832503
    21  H    4.075627   2.826512   4.159088   4.582309   3.504639
    22  H    4.588048   3.521106   4.158216   4.085202   2.811420
    23  H    2.604211   2.585529   2.860538   4.187360   4.157176
    24  H    3.426446   3.831003   2.874886   4.239362   4.535233
    25  H    3.874515   3.534872   3.527147   4.575808   4.253688
    26  H    4.187850   4.205345   2.832545   2.600054   2.581046
    27  H    4.578639   4.280401   3.524572   3.850200   3.436848
    28  H    4.252231   4.571766   2.907644   3.498307   3.829038
    29  C    4.654608   4.131155   4.461861   3.145538   2.374453
    30  C    5.546714   4.899087   5.673628   4.461652   3.697973
    31  O    5.193517   4.879226   4.652792   3.175264   2.679264
    32  H    5.847540   4.930016   6.082581   5.020573   3.981602
    33  H    6.487716   5.930996   6.487333   5.151344   4.495458
    34  H    5.260251   4.752678   5.617609   4.524196   4.000674
                    6          7          8          9         10
     6  C    0.000000
     7  H    3.187884   0.000000
     8  H    3.214883   1.753528   0.000000
     9  H    2.187828   2.953709   2.390904   0.000000
    10  H    2.177660   2.358293   2.948425   1.751040   0.000000
    11  C    1.569019   2.858149   3.369707   3.366428   2.867962
    12  H    3.310515   2.495464   2.694623   4.176765   4.041653
    13  H    3.212785   4.311295   3.606520   4.298081   4.906716
    14  H    3.162897   3.608921   2.307707   3.241472   4.262945
    15  H    2.181235   4.891522   4.350817   3.642183   4.294182
    16  O    2.443552   4.562148   3.536268   2.370047   3.748735
    17  C    1.514354   4.412828   4.605273   2.973851   2.709504
    18  C    2.595429   2.802240   4.011678   4.022884   2.830087
    19  C    2.613070   4.295783   4.678402   4.682174   4.314986
    20  H    2.155828   4.947488   4.878454   2.838515   2.999239
    21  H    2.163367   4.411063   4.967607   3.373260   2.529086
    22  H    2.167242   5.204782   5.378710   3.942926   3.740264
    23  H    2.820569   2.205745   3.658888   3.637637   2.178051
    24  H    3.527662   3.117458   4.435087   4.914150   3.770667
    25  H    2.940554   3.791172   4.961999   4.550406   3.255199
    26  H    2.885225   4.842763   4.845606   4.858527   4.870127
    27  H    2.923085   4.982517   5.492552   5.099724   4.568062
    28  H    3.543605   4.524273   5.080430   5.482392   4.980139
    29  C    3.676574   5.736505   4.507540   3.631484   5.091293
    30  C    4.764364   6.587018   5.232253   4.114970   5.753138
    31  O    4.167905   6.275809   5.087222   4.574698   5.880792
    32  H    4.787189   6.838764   5.659209   4.096596   5.633545
    33  H    5.696005   7.546334   6.126465   5.181418   6.813864
    34  H    4.952769   6.249535   4.768303   3.860862   5.595651
                   11         12         13         14         15
    11  C    0.000000
    12  H    2.246080   0.000000
    13  H    2.897053   2.499467   0.000000
    14  H    3.356827   2.730554   1.753176   0.000000
    15  H    2.806414   3.986138   2.333234   2.937089   0.000000
    16  O    3.675221   4.492034   3.208658   2.532862   2.040926
    17  C    2.639364   4.718472   4.444811   4.547786   2.719208
    18  C    1.530293   2.938189   4.338179   4.664183   4.248654
    19  C    1.532528   2.922909   2.864618   4.025360   2.744215
    20  H    3.566479   5.465233   4.953258   4.798308   3.024473
    21  H    2.929753   5.059462   5.247038   5.317912   3.744249
    22  H    2.916756   5.052708   4.463985   4.938004   2.535574
    23  H    2.205000   3.267589   4.886579   4.831303   4.794219
    24  H    2.161470   2.805892   4.571792   5.060981   4.921190
    25  H    2.168497   3.942786   5.014927   5.479680   4.501348
    26  H    2.211699   3.194339   2.225951   3.659093   2.142947
    27  H    2.171315   3.945028   3.818412   4.932006   3.100776
    28  H    2.161853   2.830767   3.259487   4.527992   3.720595
    29  C    4.754388   5.333409   3.517421   2.977142   2.509146
    30  C    6.016442   6.569948   4.935605   4.074535   3.932222
    31  O    4.952677   5.376783   3.152705   3.121516   2.433675
    32  H    6.197553   7.064884   5.575237   4.780783   4.175710
    33  H    6.866824   7.316635   5.449076   4.727775   4.558860
    34  H    6.169042   6.473437   5.129083   3.926800   4.482972
                   16         17         18         19         20
    16  O    0.000000
    17  C    3.109145   0.000000
    18  C    4.958453   3.214456   0.000000
    19  C    4.333944   3.236955   2.460848   0.000000
    20  H    2.845643   1.091892   4.200975   4.213751   0.000000
    21  H    4.073796   1.091498   2.945688   3.635823   1.762314
    22  H    3.532714   1.092131   3.591707   2.956665   1.763194
    23  H    5.076084   3.452841   1.087195   3.447016   4.275385
    24  H    5.772702   4.248728   1.092338   2.701534   5.258330
    25  H    5.377512   3.023410   1.091879   2.663076   4.054451
    26  H    3.970868   3.550627   3.449546   1.087467   4.360481
    27  H    4.768947   3.004729   2.699685   1.091931   4.018540
    28  H    5.272254   4.249250   2.663919   1.092189   5.258630
    29  C    1.346040   4.221915   6.146946   5.131110   3.873991
    30  C    2.349990   5.135504   7.301483   6.546087   4.514602
    31  O    2.251914   4.755462   6.445506   4.995501   4.591598
    32  H    2.608893   4.852771   7.369333   6.764704   4.051330
    33  H    3.274122   6.045989   8.219806   7.242850   5.439741
    34  H    2.628966   5.508426   7.377082   6.898494   4.913391
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768019   0.000000
    23  H    3.032645   4.096676   0.000000
    24  H    4.004978   4.504015   1.759164   0.000000
    25  H    2.525041   3.230349   1.758593   1.759045   0.000000
    26  H    4.205314   3.144304   4.352208   3.708200   3.696210
    27  H    3.265238   2.470918   3.705432   3.061378   2.438166
    28  H    4.508389   3.992707   3.695373   2.440816   2.950514
    29  C    5.255529   4.413427   6.354203   6.889004   6.553455
    30  C    6.091018   5.452318   7.350206   8.112830   7.692378
    31  O    5.830335   4.706618   6.824565   7.066182   6.845831
    32  H    5.743447   5.192501   7.372202   8.274026   7.634176
    33  H    7.041711   6.237133   8.335490   8.989424   8.604527
    34  H    6.377660   5.995752   7.291579   8.162036   7.878388
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.759032   0.000000
    28  H    1.755742   1.758353   0.000000
    29  C    4.515705   5.576716   6.032978   0.000000
    30  C    5.993377   6.937116   7.472163   1.504800   0.000000
    31  O    4.175995   5.478106   5.811442   1.205113   2.410248
    32  H    6.307740   7.004535   7.764051   2.139704   1.090613
    33  H    6.570442   7.637402   8.140769   2.130585   1.086162
    34  H    6.433974   7.389015   7.767587   2.136704   1.090987
                   31         32         33         34
    31  O    0.000000
    32  H    3.119904   0.000000
    33  H    2.564447   1.784406   0.000000
    34  H    3.100264   1.758202   1.782460   0.000000
 Stoichiometry    C12H20O2
 Framework group  C1[X(C12H20O2)]
 Deg. of freedom    96
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.09D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2924380           0.4724883           0.4648286
 Leave Link  202 at Thu Jul 22 19:28:19 2021, MaxMem= 17179869184 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     12     13     14     15     20     21
 Centers:      22     23     24     25     26     27     28     32     33     34
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     11     17     18     19
 Centers:      29     30
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      16     31
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   474 symmetry adapted cartesian basis functions of A   symmetry.
 There are   446 symmetry adapted basis functions of A   symmetry.
   446 basis functions,   654 primitive gaussians,   474 cartesian basis functions
    54 alpha electrons       54 beta electrons
       nuclear repulsion energy      1014.9172554271 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   34 NActive=   34 NUniq=   34 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul 22 19:28:20 2021, MaxMem= 17179869184 cpu:               6.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   446 RedAO= T EigKep=  4.62D-06  NBF=   446
 NBsUse=   446 1.00D-06 EigRej= -1.00D+00 NBFU=   446
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   474   474   474   474   474 MxSgAt=    34 MxSgA2=    34.
 Leave Link  302 at Thu Jul 22 19:28:20 2021, MaxMem= 17179869184 cpu:               6.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 19:28:21 2021, MaxMem= 17179869184 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "14_bornylOAc_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 19:28:21 2021, MaxMem= 17179869184 cpu:               7.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179409434 LenY= 17179184284
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -618.972180566638    
 DIIS: error= 3.84D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -618.972180566638     IErMin= 1 ErrMin= 3.84D-03
 ErrMax= 3.84D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-02 BMatP= 2.40D-02
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.84D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.482 Goal=   None    Shift=    0.000
 GapD=    0.482 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.43D-02 MaxDP=2.01D+00              OVMax= 1.94D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.25D-02    CP:  1.25D+00
 E= -618.996448632121     Delta-E=       -0.024268065483 Rises=F Damp=F
 DIIS: error= 1.02D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -618.996448632121     IErMin= 2 ErrMin= 1.02D-03
 ErrMax= 1.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-03 BMatP= 2.40D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.02D-02
 Coeff-Com: -0.127D-01 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.125D-01 0.101D+01
 Gap=     0.432 Goal=   None    Shift=    0.000
 RMSDP=2.94D-03 MaxDP=4.23D-01 DE=-2.43D-02 OVMax= 8.41D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.16D-03    CP:  1.32D+00  1.15D+00
 E= -618.997256785827     Delta-E=       -0.000808153706 Rises=F Damp=F
 DIIS: error= 8.28D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -618.997256785827     IErMin= 3 ErrMin= 8.28D-04
 ErrMax= 8.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.55D-04 BMatP= 1.11D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.28D-03
 Coeff-Com: -0.581D-01 0.487D+00 0.572D+00
 Coeff-En:   0.000D+00 0.231D-01 0.977D+00
 Coeff:     -0.576D-01 0.483D+00 0.575D+00
 Gap=     0.427 Goal=   None    Shift=    0.000
 RMSDP=3.49D-04 MaxDP=4.88D-02 DE=-8.08D-04 OVMax= 3.44D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.71D-04    CP:  1.32D+00  1.17D+00  1.05D+00
 E= -618.997821276710     Delta-E=       -0.000564490884 Rises=F Damp=F
 DIIS: error= 1.31D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -618.997821276710     IErMin= 4 ErrMin= 1.31D-04
 ErrMax= 1.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.16D-05 BMatP= 8.55D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.31D-03
 Coeff-Com: -0.113D-01 0.186D-01 0.125D+00 0.868D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.113D-01 0.185D-01 0.125D+00 0.868D+00
 Gap=     0.426 Goal=   None    Shift=    0.000
 RMSDP=8.88D-05 MaxDP=1.11D-02 DE=-5.64D-04 OVMax= 1.12D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.12D-05    CP:  1.33D+00  1.17D+00  1.09D+00  1.07D+00
 E= -618.997842174637     Delta-E=       -0.000020897927 Rises=F Damp=F
 DIIS: error= 5.54D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -618.997842174637     IErMin= 5 ErrMin= 5.54D-05
 ErrMax= 5.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-06 BMatP= 2.16D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.171D-02-0.384D-01-0.169D-01 0.295D+00 0.759D+00
 Coeff:      0.171D-02-0.384D-01-0.169D-01 0.295D+00 0.759D+00
 Gap=     0.426 Goal=   None    Shift=    0.000
 RMSDP=2.68D-05 MaxDP=3.01D-03 DE=-2.09D-05 OVMax= 3.49D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.78D-05    CP:  1.33D+00  1.17D+00  1.10D+00  1.08D+00  1.13D+00
 E= -618.997845029094     Delta-E=       -0.000002854457 Rises=F Damp=F
 DIIS: error= 2.00D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -618.997845029094     IErMin= 6 ErrMin= 2.00D-05
 ErrMax= 2.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.93D-07 BMatP= 3.23D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.160D-02-0.196D-01-0.181D-01 0.793D-01 0.369D+00 0.588D+00
 Coeff:      0.160D-02-0.196D-01-0.181D-01 0.793D-01 0.369D+00 0.588D+00
 Gap=     0.427 Goal=   None    Shift=    0.000
 RMSDP=7.44D-06 MaxDP=4.78D-04 DE=-2.85D-06 OVMax= 1.43D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.75D-06    CP:  1.33D+00  1.17D+00  1.10D+00  1.09D+00  1.17D+00
                    CP:  1.13D+00
 E= -618.997845457035     Delta-E=       -0.000000427941 Rises=F Damp=F
 DIIS: error= 5.81D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -618.997845457035     IErMin= 7 ErrMin= 5.81D-06
 ErrMax= 5.81D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.88D-08 BMatP= 5.93D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.377D-03-0.172D-02-0.505D-02-0.166D-01 0.225D-01 0.226D+00
 Coeff-Com:  0.775D+00
 Coeff:      0.377D-03-0.172D-02-0.505D-02-0.166D-01 0.225D-01 0.226D+00
 Coeff:      0.775D+00
 Gap=     0.427 Goal=   None    Shift=    0.000
 RMSDP=4.70D-06 MaxDP=2.58D-04 DE=-4.28D-07 OVMax= 5.86D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.76D-06    CP:  1.33D+00  1.17D+00  1.10D+00  1.09D+00  1.19D+00
                    CP:  1.17D+00  1.22D+00
 E= -618.997845508016     Delta-E=       -0.000000050981 Rises=F Damp=F
 DIIS: error= 8.37D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -618.997845508016     IErMin= 8 ErrMin= 8.37D-07
 ErrMax= 8.37D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-09 BMatP= 4.88D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.938D-04 0.150D-02 0.102D-02-0.825D-02-0.304D-01-0.384D-01
 Coeff-Com:  0.679D-01 0.101D+01
 Coeff:     -0.938D-04 0.150D-02 0.102D-02-0.825D-02-0.304D-01-0.384D-01
 Coeff:      0.679D-01 0.101D+01
 Gap=     0.427 Goal=   None    Shift=    0.000
 RMSDP=1.65D-06 MaxDP=1.59D-04 DE=-5.10D-08 OVMax= 1.52D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.69D-07    CP:  1.33D+00  1.17D+00  1.10D+00  1.09D+00  1.20D+00
                    CP:  1.21D+00  1.33D+00  1.26D+00
 E= -618.997845511490     Delta-E=       -0.000000003474 Rises=F Damp=F
 DIIS: error= 3.09D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -618.997845511490     IErMin= 9 ErrMin= 3.09D-07
 ErrMax= 3.09D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-10 BMatP= 1.87D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.527D-04 0.601D-03 0.656D-03-0.161D-02-0.111D-01-0.285D-01
 Coeff-Com: -0.291D-01 0.331D+00 0.738D+00
 Coeff:     -0.527D-04 0.601D-03 0.656D-03-0.161D-02-0.111D-01-0.285D-01
 Coeff:     -0.291D-01 0.331D+00 0.738D+00
 Gap=     0.427 Goal=   None    Shift=    0.000
 RMSDP=3.77D-07 MaxDP=6.66D-05 DE=-3.47D-09 OVMax= 4.15D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.80D-07    CP:  1.33D+00  1.17D+00  1.10D+00  1.09D+00  1.21D+00
                    CP:  1.22D+00  1.34D+00  1.31D+00  1.04D+00
 E= -618.997845511844     Delta-E=       -0.000000000354 Rises=F Damp=F
 DIIS: error= 1.04D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -618.997845511844     IErMin=10 ErrMin= 1.04D-07
 ErrMax= 1.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-11 BMatP= 2.69D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.184D-05-0.390D-04 0.298D-04 0.593D-03 0.121D-02-0.242D-02
 Coeff-Com: -0.134D-01-0.476D-01 0.169D+00 0.892D+00
 Coeff:     -0.184D-05-0.390D-04 0.298D-04 0.593D-03 0.121D-02-0.242D-02
 Coeff:     -0.134D-01-0.476D-01 0.169D+00 0.892D+00
 Gap=     0.427 Goal=   None    Shift=    0.000
 RMSDP=1.76D-07 MaxDP=2.87D-05 DE=-3.54D-10 OVMax= 1.85D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.41D-08    CP:  1.33D+00  1.17D+00  1.10D+00  1.09D+00  1.21D+00
                    CP:  1.22D+00  1.35D+00  1.34D+00  1.12D+00  9.89D-01
 E= -618.997845511835     Delta-E=        0.000000000010 Rises=F Damp=F
 DIIS: error= 3.15D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -618.997845511844     IErMin=11 ErrMin= 3.15D-08
 ErrMax= 3.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-12 BMatP= 2.31D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.403D-05-0.587D-04-0.480D-04 0.281D-03 0.124D-02 0.165D-02
 Coeff-Com: -0.409D-03-0.396D-01-0.203D-01 0.207D+00 0.850D+00
 Coeff:      0.403D-05-0.587D-04-0.480D-04 0.281D-03 0.124D-02 0.165D-02
 Coeff:     -0.409D-03-0.396D-01-0.203D-01 0.207D+00 0.850D+00
 Gap=     0.427 Goal=   None    Shift=    0.000
 RMSDP=4.13D-08 MaxDP=5.71D-06 DE= 9.78D-12 OVMax= 8.01D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.86D-08    CP:  1.33D+00  1.17D+00  1.10D+00  1.09D+00  1.21D+00
                    CP:  1.22D+00  1.35D+00  1.35D+00  1.14D+00  1.05D+00
                    CP:  1.00D+00
 E= -618.997845511842     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 1.35D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -618.997845511844     IErMin=12 ErrMin= 1.35D-08
 ErrMax= 1.35D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-13 BMatP= 2.02D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D-05-0.852D-05-0.140D-04-0.221D-05 0.124D-03 0.524D-03
 Coeff-Com:  0.155D-02-0.341D-02-0.234D-01-0.576D-01 0.208D+00 0.874D+00
 Coeff:      0.100D-05-0.852D-05-0.140D-04-0.221D-05 0.124D-03 0.524D-03
 Coeff:      0.155D-02-0.341D-02-0.234D-01-0.576D-01 0.208D+00 0.874D+00
 Gap=     0.427 Goal=   None    Shift=    0.000
 RMSDP=1.58D-08 MaxDP=2.08D-06 DE=-7.50D-12 OVMax= 4.50D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.64D-09    CP:  1.33D+00  1.17D+00  1.10D+00  1.09D+00  1.21D+00
                    CP:  1.22D+00  1.35D+00  1.35D+00  1.14D+00  1.06D+00
                    CP:  1.07D+00  1.15D+00
 E= -618.997845511852     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 5.95D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -618.997845511852     IErMin=13 ErrMin= 5.95D-09
 ErrMax= 5.95D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.74D-14 BMatP= 3.14D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.393D-06 0.745D-05 0.463D-05-0.442D-04-0.168D-03-0.176D-03
 Coeff-Com:  0.502D-03 0.570D-02-0.173D-02-0.477D-01-0.942D-01 0.197D+00
 Coeff-Com:  0.941D+00
 Coeff:     -0.393D-06 0.745D-05 0.463D-05-0.442D-04-0.168D-03-0.176D-03
 Coeff:      0.502D-03 0.570D-02-0.173D-02-0.477D-01-0.942D-01 0.197D+00
 Coeff:      0.941D+00
 Gap=     0.427 Goal=   None    Shift=    0.000
 RMSDP=8.37D-09 MaxDP=1.37D-06 DE=-1.00D-11 OVMax= 2.67D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  3.63D-09    CP:  1.33D+00  1.17D+00  1.10D+00  1.09D+00  1.21D+00
                    CP:  1.22D+00  1.35D+00  1.35D+00  1.14D+00  1.06D+00
                    CP:  1.08D+00  1.26D+00  1.12D+00
 E= -618.997845511902     Delta-E=       -0.000000000050 Rises=F Damp=F
 DIIS: error= 2.35D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -618.997845511902     IErMin=14 ErrMin= 2.35D-09
 ErrMax= 2.35D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.09D-15 BMatP= 4.74D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.214D-06 0.257D-05 0.291D-05-0.908D-05-0.491D-04-0.107D-03
 Coeff-Com: -0.948D-04 0.156D-02 0.264D-02-0.163D-02-0.442D-01-0.740D-01
 Coeff-Com:  0.160D+00 0.956D+00
 Coeff:     -0.214D-06 0.257D-05 0.291D-05-0.908D-05-0.491D-04-0.107D-03
 Coeff:     -0.948D-04 0.156D-02 0.264D-02-0.163D-02-0.442D-01-0.740D-01
 Coeff:      0.160D+00 0.956D+00
 Gap=     0.427 Goal=   None    Shift=    0.000
 RMSDP=1.65D-09 MaxDP=1.35D-07 DE=-4.96D-11 OVMax= 1.19D-07

 SCF Done:  E(RM11) =  -618.997845512     A.U. after   14 cycles
            NFock= 14  Conv=0.17D-08     -V/T= 2.0123
 KE= 6.114620976890D+02 PE=-3.465776066792D+03 EE= 1.220398868164D+03
 Leave Link  502 at Thu Jul 22 19:33:19 2021, MaxMem= 17179869184 cpu:            3553.1 elap:             296.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   446
 NBasis=   446 NAE=    54 NBE=    54 NFC=     0 NFV=     0
 NROrb=    446 NOA=    54 NOB=    54 NVA=   392 NVB=   392

 **** Warning!!: The largest alpha MO coefficient is  0.97530469D+02

 Leave Link  801 at Thu Jul 22 19:33:19 2021, MaxMem= 17179869184 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10301 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          34
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.53D-13 8.33D-09 XBig12= 1.00D+00 1.30D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.53D-13 8.33D-09 XBig12= 1.76D-01 3.12D-02.
     11 vectors produced by pass  2 Test12= 3.53D-13 8.33D-09 XBig12= 3.38D-02 2.19D-02.
     11 vectors produced by pass  3 Test12= 3.53D-13 8.33D-09 XBig12= 2.40D-03 5.57D-03.
     11 vectors produced by pass  4 Test12= 3.53D-13 8.33D-09 XBig12= 3.23D-04 1.46D-03.
     11 vectors produced by pass  5 Test12= 3.53D-13 8.33D-09 XBig12= 5.03D-05 7.97D-04.
     11 vectors produced by pass  6 Test12= 3.53D-13 8.33D-09 XBig12= 2.69D-06 2.18D-04.
     11 vectors produced by pass  7 Test12= 3.53D-13 8.33D-09 XBig12= 1.13D-07 4.27D-05.
     11 vectors produced by pass  8 Test12= 3.53D-13 8.33D-09 XBig12= 3.33D-09 5.76D-06.
     11 vectors produced by pass  9 Test12= 3.53D-13 8.33D-09 XBig12= 7.42D-11 7.61D-07.
      9 vectors produced by pass 10 Test12= 3.53D-13 8.33D-09 XBig12= 1.66D-12 1.11D-07.
      2 vectors produced by pass 11 Test12= 3.53D-13 8.33D-09 XBig12= 5.29D-14 1.94D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.162103D+03
      2 -0.184154D+01  0.137130D+03
      3 -0.777433D+00 -0.398622D+00  0.131341D+03
 Isotropic polarizability for W=    0.085645      143.52 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.143360D+02  0.532737D+01 -0.521968D+00
      2   0.114560D+02  0.488173D+01 -0.112665D+02
      3   0.287993D+01 -0.102091D+02  0.117885D+02
      4  -0.862659D+01 -0.519228D+02 -0.128432D+02
      5   0.662805D+01 -0.118717D+02 -0.101709D+03
      6  -0.512808D+01  0.118866D+01 -0.317152D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.252305D+00  0.110291D+01  0.751305D+01
      2  -0.224201D+00 -0.429655D+01 -0.486523D+02
      3  -0.590206D+01  0.229008D+02  0.357484D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.971495D+00  0.124552D+02  0.215061D+02
      2  -0.715001D+01 -0.771512D+01 -0.104589D+03
      3  -0.139540D+02  0.633788D+02  0.674362D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.117981D+00  0.443472D+00  0.541267D+00
      2   0.443472D+00 -0.267514D+00  0.128657D+01
      3   0.541267D+00  0.128657D+01 -0.588520D+00
 OR G Eigenvalues:    -1.7333    -0.4656     1.2249  Iso=     0.3247
 Eigenvectors:
   (1)  -0.078096  -0.644189   0.760869
   (2)   0.885275  -0.395781  -0.244223
   (3)   0.458464   0.654505   0.601194
 w=    0.085645 a.u., Optical Rotation Beta=      0.3247 au.
 Molar Mass =    196.2888 grams/mole, [Alpha] ( 5320.0 A) =       78.45 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   99681 ScalPx= 1.26D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   99681 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.00D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 5.88D-14 2.78D-09 XBig12= 1.00D+00 2.54D-01.
     30 vectors produced by pass  1 Test12= 5.88D-14 2.78D-09 XBig12= 4.99D-02 3.05D-02.
     30 vectors produced by pass  2 Test12= 5.88D-14 2.78D-09 XBig12= 4.36D-03 5.73D-03.
     30 vectors produced by pass  3 Test12= 5.88D-14 2.78D-09 XBig12= 9.60D-05 8.67D-04.
     30 vectors produced by pass  4 Test12= 5.88D-14 2.78D-09 XBig12= 2.93D-06 1.67D-04.
     30 vectors produced by pass  5 Test12= 5.88D-14 2.78D-09 XBig12= 4.88D-08 2.04D-05.
     30 vectors produced by pass  6 Test12= 5.88D-14 2.78D-09 XBig12= 6.85D-10 2.54D-06.
     30 vectors produced by pass  7 Test12= 5.88D-14 2.78D-09 XBig12= 8.87D-12 2.51D-07.
     26 vectors produced by pass  8 Test12= 5.88D-14 2.78D-09 XBig12= 8.99D-14 2.19D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   266 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   99681 ScalPx= 1.12D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   99681 ScalPx= 1.12D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   99681 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.71D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.162103D+03 -0.184154D+01 -0.777433D+00
      2  -0.184154D+01  0.137130D+03 -0.398622D+00
      3  -0.777433D+00 -0.398622D+00  0.131341D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.252305D+00  0.110291D+01  0.751305D+01
      2  -0.224201D+00 -0.429655D+01 -0.486523D+02
      3  -0.590206D+01  0.229008D+02  0.357484D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.143360D+02  0.532737D+01 -0.521968D+00
      2   0.114560D+02  0.488173D+01 -0.112665D+02
      3   0.287993D+01 -0.102091D+02  0.117885D+02
      4  -0.862659D+01 -0.519228D+02 -0.128432D+02
      5   0.662805D+01 -0.118717D+02 -0.101709D+03
      6  -0.512808D+01  0.118866D+01 -0.317152D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.283820D+01  0.289744D+01  0.329595D+01  0.241711D+01  0.711568D+00
      2   0.289744D+01  0.922138D+00  0.324511D+00  0.711568D+00 -0.318586D+01
      3   0.329595D+01  0.324511D+00 -0.347512D+01  0.698398D+00 -0.641272D-01
                 6             7             8             9            10 
      1   0.698398D+00  0.189926D+01  0.535972D+00 -0.306019D+01 -0.246780D+01
      2  -0.641272D-01  0.535972D+00  0.463871D-01  0.267106D+01  0.395557D+01
      3   0.261958D+01 -0.306019D+01  0.267106D+01  0.221876D+00 -0.129277D+01
                11            12            13            14            15 
      1   0.395557D+01 -0.129277D+01  0.347390D+01  0.517652D-01 -0.136942D+01
      2   0.763248D-01 -0.143083D+01  0.517652D-01  0.340481D+00 -0.303809D+01
      3  -0.143083D+01  0.192759D+01 -0.136942D+01 -0.303809D+01 -0.251015D+01
                16            17            18            19            20 
      1  -0.633470D+00 -0.166097D+01  0.140346D+01 -0.129855D+01 -0.350557D+01
      2  -0.166097D+01 -0.271930D+01 -0.165313D+01 -0.350557D+01  0.351467D+00
      3   0.140346D+01 -0.165313D+01  0.194242D+01  0.242067D+00 -0.121140D+01
                21            22            23            24            25 
      1   0.242067D+00 -0.375788D+01  0.427889D+00 -0.147639D+01 -0.333554D+00
      2  -0.121140D+01  0.427889D+00  0.362766D+01  0.195702D+01 -0.118941D+01
      3   0.460657D+01 -0.147639D+01  0.195702D+01 -0.243515D+01  0.561161D+01
                26            27            28            29            30 
      1  -0.118941D+01  0.561161D+01  0.863438D+00  0.194017D+01  0.141347D+01
      2   0.106963D+01 -0.325009D+01  0.194017D+01 -0.281119D+00  0.132107D+00
      3  -0.325009D+01 -0.120353D+01  0.141347D+01  0.132107D+00 -0.343834D+01
                31            32            33            34            35 
      1   0.255950D+01 -0.805379D+00 -0.127604D+00  0.132728D-02  0.367670D+00
      2  -0.805379D+00 -0.490820D+01  0.108856D+01  0.367670D+00  0.394893D+00
      3  -0.127604D+00  0.108856D+01  0.229683D+01 -0.366941D+01  0.191947D+01
                36            37            38            39            40 
      1  -0.366941D+01 -0.385141D+01  0.131999D+01 -0.129360D+01  0.230812D+01
      2   0.191947D+01  0.131999D+01  0.673041D+00 -0.100688D+01  0.593630D-02
      3  -0.654868D+00 -0.129360D+01 -0.100688D+01  0.276108D+01 -0.118519D+01
                41            42            43            44            45 
      1   0.593630D-02 -0.118519D+01  0.407361D+00 -0.880431D+00  0.157980D+01
      2  -0.909026D+00 -0.220691D+01 -0.880431D+00 -0.147146D+01 -0.168222D+01
      3  -0.220691D+01 -0.274574D+01  0.157980D+01 -0.168222D+01  0.160978D+01
                46            47            48            49            50 
      1   0.204126D+01 -0.471830D+01  0.321142D+01 -0.609216D+01  0.105314D+01
      2  -0.471830D+01  0.115608D+01  0.444228D+00  0.105314D+01  0.523357D+00
      3   0.321142D+01  0.444228D+00  0.456303D+00  0.419915D+00  0.376791D+01
                51            52            53            54            55 
      1   0.419915D+00  0.346762D+01 -0.168352D-01  0.142052D+00 -0.572776D+01
      2   0.376791D+01 -0.168352D-01  0.416176D+01  0.159839D+01 -0.266914D+01
      3   0.137814D+01  0.142052D+00  0.159839D+01 -0.306857D+01 -0.273690D+01
                56            57            58            59            60 
      1  -0.266914D+01 -0.273690D+01 -0.214845D+01 -0.203779D+01 -0.110714D+01
      2  -0.246431D+01 -0.147942D+01 -0.203779D+01 -0.206696D+01 -0.127770D+01
      3  -0.147942D+01 -0.220492D+01 -0.110714D+01 -0.127770D+01 -0.146790D+01
                61            62            63            64            65 
      1  -0.171430D+01 -0.964806D+00 -0.152588D+01  0.201144D+01 -0.124112D+01
      2  -0.964806D+00 -0.910574D+00 -0.140484D+01 -0.124112D+01  0.134890D+01
      3  -0.152588D+01 -0.140484D+01 -0.205419D+01 -0.245942D+01  0.123980D+01
                66            67            68            69            70 
      1  -0.245942D+01 -0.704675D+00  0.717050D+00  0.417099D+00 -0.170816D+01
      2   0.123980D+01  0.717050D+00 -0.109888D+01 -0.153728D+01  0.616084D+00
      3   0.363468D+01  0.417099D+00 -0.153728D+01 -0.168606D+01  0.221650D+01
                71            72            73            74            75 
      1   0.616084D+00  0.221650D+01  0.551446D+01 -0.287008D+01  0.271087D+00
      2  -0.167979D+01 -0.233186D+01 -0.287008D+01  0.322764D+01  0.275285D+00
      3  -0.233186D+01 -0.635818D+01  0.271087D+00  0.275285D+00  0.867368D+00
                76            77            78            79            80 
      1  -0.212247D+01  0.219402D+01  0.222143D+00  0.103031D+00  0.215065D+00
      2   0.219402D+01 -0.335081D+01  0.248334D+00  0.215065D+00  0.246443D+00
      3   0.222143D+00  0.248334D+00 -0.342979D+00  0.741265D+00 -0.619500D+00
                81            82            83            84            85 
      1   0.741265D+00 -0.245630D+01 -0.235452D+01  0.887182D+00 -0.199124D+01
      2  -0.619500D+00 -0.235452D+01 -0.290000D+01  0.907158D+00 -0.213626D+01
      3  -0.159786D+00  0.887182D+00  0.907158D+00 -0.140516D+01  0.645547D+00
                86            87            88            89            90 
      1  -0.213626D+01  0.645547D+00  0.882766D+00  0.984062D+00 -0.107669D+01
      2  -0.526663D+01  0.170345D+01  0.984062D+00  0.223219D+01 -0.128558D+01
      3   0.170345D+01 -0.103906D+01 -0.107669D+01 -0.128558D+01  0.130307D+01
                91            92            93            94            95 
      1  -0.128341D+01  0.545152D+01 -0.208038D+01  0.639728D+01 -0.663555D+00
      2   0.545152D+01 -0.139540D+01  0.863648D+00 -0.663555D+00 -0.329966D+01
      3  -0.208038D+01  0.863648D+00 -0.416758D+01  0.106461D+01 -0.327973D+01
                96            97            98            99           100 
      1   0.106461D+01 -0.164152D+01  0.788737D+00 -0.408338D+01 -0.331369D+01
      2  -0.327973D+01  0.788737D+00 -0.290862D+01  0.107218D+01  0.181925D+01
      3   0.125048D+01 -0.408338D+01  0.107218D+01  0.469084D+01 -0.269713D+01
               101           102           103           104           105 
      1   0.181925D+01 -0.269713D+01  0.182261D+01 -0.142359D+01  0.122870D+01
      2  -0.131082D+01  0.121295D+01 -0.142359D+01  0.197699D+01 -0.229845D+01
      3   0.121295D+01 -0.321529D+01  0.122870D+01 -0.229845D+01  0.247233D+01
               106           107           108           109           110 
      1  -0.200522D+01  0.882550D+00 -0.303864D+01  0.362558D+00  0.105681D+01
      2   0.882550D+00 -0.173526D+01  0.225462D+01  0.105681D+01  0.477095D+00
      3  -0.303864D+01  0.225462D+01 -0.575564D+01 -0.352968D+00 -0.155597D+00
               111           112           113           114           115 
      1  -0.352968D+00  0.140009D+01  0.881581D+00 -0.217877D+00 -0.386363D-01
      2  -0.155597D+00  0.881581D+00  0.784601D+01 -0.202228D+01 -0.129747D+00
      3   0.356958D+00 -0.217877D+00 -0.202228D+01  0.162851D+01  0.493383D+00
               116           117           118           119           120 
      1  -0.129747D+00  0.493383D+00  0.376991D+01 -0.526315D+00 -0.233310D+01
      2  -0.109217D+01  0.119209D+01 -0.526315D+00  0.553642D+00  0.113947D+00
      3   0.119209D+01 -0.810549D+00 -0.233310D+01  0.113947D+00  0.279991D+01
               121           122           123           124           125 
      1  -0.160477D+01  0.632249D+00  0.710229D+00 -0.262354D+01  0.500739D-01
      2   0.632249D+00 -0.604847D-01 -0.997768D+00  0.500739D-01 -0.886843D+00
      3   0.710229D+00 -0.997768D+00 -0.156369D+01  0.270472D+01 -0.476030D+00
               126           127           128           129           130 
      1   0.270472D+01  0.204445D+01  0.879701D+00  0.101583D+01  0.217114D+01
      2  -0.476030D+00  0.879701D+00  0.201035D+00  0.343242D+00  0.184311D+00
      3  -0.467131D+01  0.101583D+01  0.343242D+00  0.269544D+00  0.491363D+00
               131           132           133           134           135 
      1   0.184311D+00  0.491363D+00  0.141680D+01  0.447770D+00  0.232931D+00
      2   0.306273D+01  0.166508D+01  0.447770D+00  0.168632D+01  0.164338D+01
      3   0.166508D+01  0.204019D+01  0.232931D+00  0.164338D+01  0.239585D+01
               136           137           138           139           140 
      1   0.170044D+00 -0.186663D+01  0.499511D+00 -0.513519D+01  0.412045D+00
      2  -0.186663D+01 -0.135693D+01 -0.155426D+00  0.412045D+00 -0.198610D+01
      3   0.499511D+00 -0.155426D+00 -0.145838D+01  0.586051D-02  0.609964D+00
               141           142           143           144           145 
      1   0.586051D-02  0.587071D+00 -0.200874D+00 -0.358674D+00 -0.220282D+00
      2   0.609964D+00 -0.200874D+00  0.194727D+00 -0.581189D+00  0.451755D+01
      3  -0.279813D+00 -0.358674D+00 -0.581189D+00  0.307131D+00 -0.341982D+01
               146           147           148           149           150 
      1   0.451755D+01 -0.341982D+01  0.472708D+01 -0.268890D+00 -0.137161D+00
      2  -0.276469D+00 -0.146370D+00 -0.268890D+00 -0.133337D+01 -0.400596D+01
      3  -0.146370D+00 -0.238630D+00 -0.137161D+00 -0.400596D+01 -0.146383D+01
               151           152           153           154           155 
      1  -0.312291D+01  0.147338D-02 -0.218708D-01 -0.322911D-01 -0.386381D+01
      2   0.147338D-02 -0.331004D+01 -0.158226D+01 -0.386381D+01  0.589956D+00
      3  -0.218708D-01 -0.158226D+01  0.249055D+01  0.199305D+01 -0.635779D+00
               156           157           158           159           160 
      1   0.199305D+01 -0.452615D+01  0.942256D+00 -0.855708D+00  0.223868D+01
      2  -0.635779D+00  0.942256D+00  0.407984D+01  0.223268D+01 -0.787949D+00
      3   0.290888D+01 -0.855708D+00  0.223268D+01 -0.714288D+00  0.392594D+01
               161           162           163           164           165 
      1  -0.787949D+00  0.392594D+01 -0.117570D+00 -0.489610D+01  0.162601D+01
      2   0.222938D+01 -0.682637D+00 -0.489610D+01  0.484607D+00 -0.940788D+00
      3  -0.682637D+00 -0.453893D+01  0.162601D+01 -0.940788D+00  0.233222D+01
               166           167           168           169           170 
      1  -0.473976D+01 -0.256021D-01 -0.976257D+00  0.186125D+01 -0.111725D+01
      2  -0.256021D-01  0.215829D+01  0.267551D+01 -0.111725D+01  0.290298D+01
      3  -0.976257D+00  0.267551D+01 -0.396980D+00  0.286595D+01 -0.116078D+01
               171           172           173           174           175 
      1   0.286595D+01  0.461755D+01 -0.240834D+01  0.250723D+01 -0.253970D+01
      2  -0.116078D+01 -0.240834D+01  0.194662D+01 -0.135725D+01  0.173650D+01
      3  -0.518412D+01  0.250723D+01 -0.135725D+01  0.290877D+01 -0.108680D+01
               176           177           178           179           180 
      1   0.173650D+01 -0.108680D+01  0.152137D+01 -0.663578D+00  0.160776D+01
      2  -0.232543D+01  0.200007D+01 -0.663578D+00  0.109532D+01 -0.108524D+01
      3   0.200007D+01 -0.181059D+01  0.160776D+01 -0.108524D+01  0.183734D+01
               181           182           183           184           185 
      1  -0.411591D+01 -0.226623D+01  0.231948D+01 -0.237171D+01 -0.159344D+01
      2  -0.226623D+01 -0.182138D+01  0.128610D+01 -0.159344D+01 -0.218783D+01
      3   0.231948D+01  0.128610D+01 -0.280328D+01  0.101138D+01  0.189803D+01
               186           187           188           189           190 
      1   0.101138D+01  0.160522D+01  0.724164D+00 -0.165469D+01  0.156766D+00
      2   0.189803D+01  0.724164D+00  0.109649D+01 -0.103135D+01  0.315650D+00
      3  -0.181236D+01 -0.165469D+01 -0.103135D+01  0.197454D+01  0.110389D+01
               191           192           193           194           195 
      1   0.315650D+00  0.110389D+01  0.679243D+00  0.357943D-01  0.197011D+00
      2   0.877734D-01  0.153407D+00  0.357943D-01  0.403744D+01  0.261311D+01
      3   0.153407D+00  0.234699D+00  0.197011D+00  0.261311D+01  0.415979D+01
               196           197           198           199           200 
      1   0.782374D+00  0.602176D-01  0.616341D-01 -0.432062D+00 -0.997583D+00
      2   0.602176D-01  0.188649D+01  0.230111D+01 -0.997583D+00 -0.931298D+00
      3   0.616341D-01  0.230111D+01  0.392742D+01 -0.584840D+00 -0.471180D-01
               201           202           203           204           205 
      1  -0.584840D+00 -0.215458D+01 -0.164611D+01  0.668283D-01 -0.978311D+00
      2  -0.471180D-01 -0.164611D+01 -0.600187D+01 -0.111231D+01 -0.139718D+00
      3  -0.321673D+00  0.668283D-01 -0.111231D+01 -0.104512D+01 -0.585696D+00
               206           207           208           209           210 
      1  -0.139718D+00 -0.585696D+00 -0.722004D+01  0.199908D+01 -0.209484D+01
      2  -0.115992D+01 -0.901638D+00  0.199908D+01 -0.115034D+01  0.500332D+00
      3  -0.901638D+00 -0.240421D+00 -0.209484D+01  0.500332D+00 -0.152935D+01
               211           212           213           214           215 
      1   0.377859D+01 -0.180839D+01  0.817596D+00 -0.380058D+01  0.855911D+00
      2  -0.180839D+01  0.134452D+01 -0.908331D+00  0.855911D+00 -0.110173D+01
      3   0.817596D+00 -0.908331D+00  0.956225D+00 -0.238642D+01  0.754196D+00
               216           217           218           219           220 
      1  -0.238642D+01 -0.243867D+01  0.307101D+00  0.177064D+01  0.798688D+00
      2   0.754196D+00  0.307101D+00 -0.321121D+00  0.140560D+00 -0.697502D+00
      3  -0.140070D+01  0.177064D+01  0.140560D+00 -0.190637D+01  0.207667D-01
               221           222           223           224           225 
      1  -0.697502D+00  0.207667D-01  0.345237D+01  0.238750D+00 -0.345677D+01
      2  -0.241544D+00  0.729448D+00  0.238750D+00  0.851158D+00 -0.103041D-01
      3   0.729448D+00  0.257586D+00 -0.345677D+01 -0.103041D-01  0.651765D+01
               226           227           228           229           230 
      1   0.396870D+01  0.192291D+01 -0.472606D+00  0.209828D+01  0.182710D+01
      2   0.192291D+01  0.285868D+01  0.345520D+00  0.182710D+01  0.337668D+01
      3  -0.472606D+00  0.345520D+00  0.664570D+00  0.665821D-01 -0.161454D+00
               231           232           233           234           235 
      1   0.665821D-01 -0.574570D+00  0.161331D+00  0.392080D+00 -0.117594D+01
      2  -0.161454D+00  0.161331D+00 -0.590728D+00  0.640823D+00  0.993235D+00
      3   0.560260D+00  0.392080D+00  0.640823D+00  0.336855D+00  0.124529D+01
               236           237           238           239           240 
      1   0.993235D+00  0.124529D+01  0.413387D+00 -0.388351D+00 -0.111838D+00
      2  -0.656654D+00 -0.405823D+00 -0.388351D+00  0.325949D+00  0.996883D+00
      3  -0.405823D+00 -0.151097D+01 -0.111838D+00  0.996883D+00  0.579245D+00
               241           242           243           244           245 
      1   0.161406D+01 -0.780456D+00 -0.214661D+01 -0.489463D+01  0.362988D+01
      2  -0.780456D+00  0.204835D+01  0.208419D+01  0.362988D+01 -0.353247D+01
      3  -0.214661D+01  0.208419D+01  0.741410D+01 -0.119956D+01  0.720521D+00
               246           247           248           249           250 
      1  -0.119956D+01  0.263068D+01 -0.268461D+01  0.656482D+00 -0.215272D+01
      2   0.720521D+00 -0.268461D+01  0.380621D+01 -0.120273D+01  0.152614D+01
      3  -0.132609D+01  0.656482D+00 -0.120273D+01  0.675746D+00 -0.152143D+01
               251           252           253           254           255 
      1   0.152614D+01 -0.152143D+01  0.293122D+01  0.144579D+01 -0.343264D+00
      2  -0.246472D+01  0.128166D+01  0.144579D+01  0.108792D+01 -0.111005D+00
      3   0.128166D+01 -0.883822D+00 -0.343264D+00 -0.111005D+00  0.486073D+00
               256           257           258           259           260 
      1  -0.113264D+01 -0.219732D+01 -0.116910D+00 -0.205773D+00  0.190346D+00
      2  -0.219732D+01 -0.454015D+01  0.304639D+00  0.190346D+00  0.381346D+00
      3  -0.116910D+00  0.304639D+00 -0.622629D+00  0.638312D+00 -0.780181D+00
               261           262           263           264           265 
      1   0.638312D+00 -0.245062D+01 -0.406310D+01  0.327084D+00 -0.568821D+01
      2  -0.780181D+00 -0.406310D+01  0.695866D-01  0.188304D+00 -0.112874D+01
      3   0.408773D+00  0.327084D+00  0.188304D+00  0.322609D+00  0.162764D+00
               266           267           268           269           270 
      1  -0.112874D+01  0.162764D+00  0.642845D+00  0.247635D+00 -0.109845D+01
      2   0.285844D+01  0.416817D+00  0.247635D+00  0.566991D+00  0.450229D+01
      3   0.416817D+00  0.389370D+01 -0.109845D+01  0.450229D+01 -0.107809D+01
               271           272           273           274           275 
      1   0.136949D+01  0.237200D+01 -0.281763D+00  0.783415D+01  0.329540D+01
      2   0.237200D+01  0.114270D+01  0.241119D-01  0.329540D+01  0.100265D+02
      3  -0.281763D+00  0.241119D-01  0.243754D+00  0.814065D-01 -0.496532D+00
               276           277           278           279           280 
      1   0.814065D-01 -0.654711D+00 -0.152804D+00  0.113540D+01  0.935538D+00
      2  -0.496532D+00 -0.152804D+00 -0.597739D+00  0.236444D+01 -0.171013D+00
      3   0.185165D+01  0.113540D+01  0.236444D+01 -0.657123D+00  0.988109D+00
               281           282           283           284           285 
      1  -0.171013D+00  0.988109D+00 -0.127812D+01  0.131244D+01 -0.585968D+00
      2  -0.353765D-01 -0.115926D+00  0.131244D+01 -0.350357D+01  0.191658D+01
      3  -0.115926D+00  0.135696D+00 -0.585968D+00  0.191658D+01 -0.249392D+01
               286           287           288           289           290 
      1   0.250706D+01 -0.106303D+01  0.147365D+01  0.912564D+01  0.184185D+01
      2  -0.106303D+01  0.248576D+01 -0.288378D+01  0.184185D+01  0.132773D+01
      3   0.147365D+01 -0.288378D+01  0.494489D+01 -0.219304D+00 -0.495047D-01
               291           292           293           294           295 
      1  -0.219304D+00  0.404797D+01  0.162851D+01 -0.555892D-01 -0.542302D+00
      2  -0.495047D-01  0.162851D+01  0.142856D+01 -0.126202D+00 -0.648754D-01
      3   0.111062D+01 -0.555892D-01 -0.126202D+00  0.320136D+00  0.135663D+01
               296           297           298           299           300 
      1  -0.648754D-01  0.135663D+01  0.776270D+00 -0.247661D+00 -0.855041D+00
      2  -0.178496D+00 -0.645333D-01 -0.247661D+00 -0.149257D+00  0.333802D-01
      3  -0.645333D-01 -0.534413D-01 -0.855041D+00  0.333802D-01 -0.267396D-01
               301           302           303           304           305 
      1  -0.157009D+01  0.145597D+01  0.425179D+00 -0.226021D+01  0.918785D+00
      2   0.145597D+01 -0.455332D+01 -0.208824D+01  0.918785D+00 -0.276922D+01
      3   0.425179D+00 -0.208824D+01 -0.251015D+01  0.110173D+01 -0.281275D+01
               306 
      1   0.110173D+01
      2  -0.281275D+01
      3  -0.354981D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.267722D+01 -0.124602D+01 -0.645631D+01 -0.134440D+01  0.985043D+01
      2   0.238727D+01  0.750675D+01  0.167387D+02  0.589956D+01  0.174263D+01
      3  -0.409289D+00 -0.622844D+01 -0.566417D+01 -0.140477D+01 -0.764379D+01
                 6             7             8             9            10 
      1   0.274797D+01 -0.602244D+01  0.804049D+01 -0.816641D+01 -0.104831D+01
      2  -0.189356D+01  0.761586D+01 -0.313515D+01 -0.885144D+01  0.165443D+01
      3  -0.172586D+00 -0.280468D+01 -0.704900D+00  0.904132D+01  0.804094D+01
                11            12            13            14            15 
      1  -0.471473D+01  0.525022D+01 -0.491759D+01 -0.815009D+01 -0.986595D+01
      2  -0.507039D+00  0.274036D+01 -0.250083D+00  0.191109D+01  0.186962D+01
      3  -0.133530D+02  0.119902D+01 -0.717389D+01  0.224154D+00  0.288707D+01
                16            17            18            19            20 
      1   0.376714D+01 -0.207453D+01  0.653498D+01  0.662823D+01  0.544481D+00
      2  -0.238139D+01  0.136476D+01 -0.441752D+00 -0.604042D+01 -0.380626D+01
      3  -0.123144D+00  0.239195D+01 -0.528808D+01 -0.748965D+01 -0.467331D+01
                21            22            23            24            25 
      1   0.510130D+00  0.142784D+01 -0.929181D+01 -0.561205D+01 -0.726437D-01
      2  -0.370728D+01 -0.409623D+01 -0.259350D+01  0.143678D+01 -0.131484D+02
      3  -0.254844D+01  0.268369D+01  0.604365D+01  0.154829D+01 -0.218878D+01
                26            27            28            29            30 
      1   0.158088D+01  0.675581D+01 -0.792363D+01 -0.305077D-01  0.434936D+01
      2   0.297004D+01  0.122984D+02  0.407804D+01  0.386300D+01  0.505066D+01
      3   0.130781D+01 -0.268872D+01  0.237379D+01  0.151647D+01  0.422484D+01
                31            32            33            34            35 
      1  -0.511557D+00  0.970090D+01 -0.796066D+01  0.562889D+01 -0.898870D+00
      2   0.668364D+01 -0.107597D+01 -0.345648D+00 -0.148012D+01 -0.186528D+00
      3   0.826759D+01  0.276124D+01 -0.146250D+01  0.371914D+01 -0.675901D+00
                36            37            38            39            40 
      1  -0.165095D+01  0.108161D+01  0.961048D+00 -0.207403D+01 -0.432928D+00
      2  -0.682600D+01  0.364253D+01 -0.251966D+01  0.186449D+01 -0.417213D+01
      3  -0.394987D+01 -0.155114D+01  0.293118D+01  0.795381D+00  0.589497D+01
                41            42            43            44            45 
      1   0.123066D+01 -0.218717D+01 -0.433719D+01  0.168639D+01 -0.401180D+01
      2  -0.154792D+01 -0.168355D+01 -0.448143D+01 -0.231939D+01  0.159881D+01
      3   0.728389D+00  0.106445D+01 -0.529349D+00 -0.226769D+00  0.119431D+01
                46            47            48            49            50 
      1  -0.298681D+01  0.645938D+00 -0.310826D+00  0.171372D+01  0.393821D+01
      2  -0.227089D+01  0.436032D+01  0.698498D+00  0.448794D+01 -0.334809D+01
      3  -0.322163D+01  0.275125D+00 -0.179355D+01  0.821326D+01 -0.157379D+01
                51            52            53            54            55 
      1   0.139448D+01  0.160663D+00  0.971367D+01  0.838240D+00  0.207835D+01
      2  -0.268371D-01 -0.933274D+01 -0.508821D-01  0.139098D+01 -0.100004D+02
      3   0.194165D+01 -0.190272D+01  0.362272D+01  0.111140D+01  0.677418D+01
                56            57            58            59            60 
      1   0.433694D+01 -0.137085D+01  0.303812D+01  0.230759D+01 -0.111522D+01
      2  -0.322853D+01 -0.448381D+00 -0.354441D+01 -0.277127D+01  0.313010D+00
      3  -0.154077D+01  0.189070D+01  0.197577D+01 -0.662240D+00 -0.154438D+00
                61            62            63            64            65 
      1  -0.443306D+00  0.951723D+00  0.145754D+00 -0.892124D+00 -0.254097D+01
      2  -0.241787D+01  0.243438D-01  0.605144D+00  0.936833D+01 -0.427088D+01
      3   0.152196D+01 -0.460600D+00  0.105600D+00 -0.612326D+01  0.213686D+01
                66            67            68            69            70 
      1   0.403763D+01 -0.841301D+00 -0.175322D+00 -0.853079D+00  0.250492D+01
      2  -0.900558D+01 -0.249703D+01  0.384730D+01  0.296656D+01 -0.898942D+01
      3   0.561088D+01  0.322585D+01 -0.208428D+01 -0.309056D+01  0.433407D+01
                71            72            73            74            75 
      1   0.257338D+01 -0.499437D+01  0.131014D+01  0.367528D+00  0.353225D+01
      2   0.429696D+01  0.126634D+02  0.490323D+00 -0.319089D+00  0.104231D+01
      3  -0.251160D+01 -0.709304D+01 -0.184569D+02  0.705226D+01 -0.751713D+00
                76            77            78            79            80 
      1  -0.849193D-01  0.128747D+01 -0.195836D+01  0.177371D+01  0.536009D-01
      2  -0.475025D+00  0.164221D+00 -0.897872D+00 -0.170665D+01  0.266628D+00
      3   0.804043D+01 -0.682533D+01 -0.282948D+00 -0.946350D-01 -0.633584D+00
                81            82            83            84            85 
      1  -0.310642D+00  0.216339D+01  0.202878D+01 -0.479110D+01  0.193961D+01
      2  -0.203870D-01 -0.237189D+00 -0.566127D+00  0.225108D+01  0.156008D-01
      3  -0.211740D+01  0.620916D+01  0.172518D+01 -0.184598D+01  0.459910D+01
                86            87            88            89            90 
      1   0.407966D+01 -0.440418D+01 -0.251682D+01 -0.131205D+01  0.449490D+01
      2  -0.952381D+00  0.176357D+01 -0.447950D+00  0.118968D+01 -0.128725D+01
      3  -0.216321D-01 -0.579512D+00 -0.232166D+01 -0.328108D-01  0.140012D+01
                91            92            93            94            95 
      1   0.217446D+01 -0.365397D+00  0.169484D+01  0.152876D+00  0.959303D+00
      2   0.348805D+01 -0.240070D+01  0.128767D+02 -0.340845D+01  0.682039D+01
      3   0.138945D+02 -0.391886D+01  0.746207D+00  0.810026D+01 -0.925968D+01
                96            97            98            99           100 
      1  -0.514170D+01  0.185497D+01  0.267254D+01 -0.430955D+01 -0.228310D+01
      2  -0.176980D+01  0.480258D+01 -0.191247D+01 -0.121956D+02 -0.296130D+01
      3  -0.687342D+01  0.137228D+01 -0.613208D+01 -0.213994D+00  0.513220D+00
               101           102           103           104           105 
      1   0.301900D+01  0.130563D+00  0.195856D+01 -0.345294D+01  0.136183D+01
      2   0.153217D+01  0.225069D+01  0.247295D+01  0.106393D+01 -0.240431D+01
      3  -0.275087D+01  0.537623D+00  0.217490D+00  0.302735D+01 -0.315180D+01
               106           107           108           109           110 
      1  -0.377286D+00  0.465567D+01 -0.102599D+01 -0.181929D+01 -0.710285D+00
      2  -0.149391D+01 -0.155792D+01  0.397338D+01 -0.734919D-01  0.166683D+01
      3  -0.431678D+00 -0.307541D+01  0.206360D+01  0.784713D+00  0.760478D+00
               111           112           113           114           115 
      1  -0.447010D+00 -0.114931D+01 -0.125707D+02 -0.120176D+01 -0.248386D+00
      2  -0.563721D-02  0.286956D+01  0.248116D+01  0.398212D+00 -0.147758D+01
      3  -0.391956D+00  0.522225D+01 -0.144212D+01 -0.113765D+00 -0.401504D+00
               116           117           118           119           120 
      1   0.801183D+00 -0.107528D+01  0.411018D+01 -0.216331D+01 -0.335017D+01
      2  -0.227412D-01  0.126239D+01  0.824219D+01 -0.983057D+00 -0.138088D+01
      3  -0.347353D+00  0.508155D+00  0.444320D+01 -0.233310D+01 -0.339509D+01
               121           122           123           124           125 
      1  -0.187929D+01  0.193454D+01  0.281881D+01 -0.287205D+01  0.426247D+01
      2  -0.395728D+01  0.105692D+01 -0.471986D-02 -0.563824D+01 -0.297490D+00
      3  -0.840697D+00  0.166188D+01  0.127319D+01 -0.323458D+01  0.156082D+01
               126           127           128           129           130 
      1   0.597323D+01  0.646409D+00 -0.338180D-01 -0.679407D+00 -0.797254D-02
      2   0.309628D+01  0.975718D-01  0.845263D-01  0.433734D+00 -0.123731D+01
      3   0.389922D+01  0.123788D+01  0.830053D+00  0.538092D+00  0.561760D+01
               131           132           133           134           135 
      1   0.604744D+00 -0.224902D+01  0.484487D+00  0.872953D+00 -0.198815D+01
      2   0.181389D+01  0.181713D+01 -0.312654D+01  0.106148D+01  0.255989D+01
      3  -0.201365D+01 -0.918669D+00  0.195032D+01 -0.938052D+00 -0.181048D+00
               136           137           138           139           140 
      1  -0.503952D+00  0.115049D+00 -0.342753D+00  0.121829D+00 -0.154035D+01
      2  -0.773098D+00 -0.948457D+00  0.709201D+01  0.182708D+01  0.512826D+00
      3   0.119519D+02 -0.774499D+01  0.160568D+01  0.112005D+02  0.532693D+01
               141           142           143           144           145 
      1  -0.341367D+01  0.963219D+00  0.127852D+01  0.308979D+00  0.976905D+01
      2  -0.149628D+01 -0.666391D+01 -0.234779D+01  0.476578D+00  0.221868D+01
      3  -0.649732D+00 -0.669275D-01  0.216832D+00  0.178439D+01  0.295762D+01
               146           147           148           149           150 
      1  -0.536905D+00 -0.771227D-01 -0.660834D+00 -0.753716D+01 -0.178318D+02
      2  -0.129720D+02  0.152401D+02 -0.128780D+02  0.267159D+01  0.477681D+00
      3  -0.640021D+01  0.371759D+01 -0.239790D+01 -0.315494D+00 -0.193802D+01
               151           152           153           154           155 
      1  -0.324444D+00 -0.952501D+01 -0.318579D+01 -0.965428D+00  0.108358D+00
      2   0.669171D+01  0.117821D+01 -0.175012D+01 -0.819577D+01  0.371180D+01
      3   0.254356D+01 -0.213695D+01 -0.988287D+00 -0.154312D+02  0.159024D+01
               156           157           158           159           160 
      1   0.657258D+00  0.745671D+00  0.286767D+01 -0.115025D+01  0.150835D+01
      2  -0.104151D+02  0.476774D+01 -0.954488D+01  0.257931D+01 -0.211650D+02
      3  -0.276912D+01  0.943829D+01  0.187350D+02  0.895214D+01 -0.357353D+01
               161           162           163           164           165 
      1   0.309808D+01 -0.111891D+01 -0.829583D+01  0.228481D+01 -0.615773D+01
      2   0.212456D+01  0.175878D+02 -0.339714D+01  0.698644D+01 -0.415648D+01
      3   0.916152D+01 -0.279159D+01 -0.126233D+02 -0.159204D+02  0.110768D+01
               166           167           168           169           170 
      1   0.216433D+01 -0.612599D+01  0.116727D+01 -0.839707D+01  0.944538D+01
      2   0.609340D+01 -0.566985D+01  0.152461D+01 -0.103113D+02  0.387254D+01
      3  -0.104667D+02  0.335619D+01  0.381892D+01  0.187456D+01  0.396006D+01
               171           172           173           174           175 
      1   0.138153D+02 -0.488709D+01  0.515620D+01 -0.195573D+00  0.398763D+01
      2   0.106693D+02 -0.155797D+02  0.732784D+01 -0.626922D+01  0.852499D+01
      3   0.336145D+01 -0.692051D+01  0.164467D+01 -0.293334D+01  0.499377D+01
               176           177           178           179           180 
      1  -0.474884D+01  0.190547D+01 -0.875363D+00  0.318731D+01 -0.115543D+01
      2  -0.593267D+01  0.314459D+01 -0.668115D+01  0.286699D+01 -0.479553D+01
      3  -0.210048D+01  0.205328D+01 -0.213159D+01  0.698542D+00 -0.201607D+01
               181           182           183           184           185 
      1  -0.442366D+01 -0.503272D+01 -0.788653D-01 -0.367152D+01 -0.431559D+01
      2   0.113960D+02  0.519810D+01 -0.189972D+01  0.665149D+01  0.286595D+01
      3   0.316037D+01 -0.110001D+01 -0.781233D+00  0.229212D+01 -0.977083D+00
               186           187           188           189           190 
      1   0.180957D+01  0.725867D+00  0.335350D+01 -0.115289D+01  0.169960D+01
      2  -0.555607D+00 -0.449608D+01 -0.140064D+01  0.222227D+01 -0.839724D+00
      3   0.609591D+00 -0.984881D+00  0.722127D+00  0.656597D+00  0.199331D+00
               191           192           193           194           195 
      1  -0.109575D+00  0.644522D+00 -0.271264D+00  0.162449D+02  0.804741D+01
      2  -0.114042D+01 -0.203880D+01 -0.358911D+01 -0.124685D+01 -0.277198D+01
      3  -0.540293D+00 -0.567616D+00  0.174002D+01  0.203831D+01  0.156747D+01
               196           197           198           199           200 
      1   0.250771D+00  0.895224D+01  0.861379D+01 -0.633417D+00 -0.113534D+00
      2  -0.362651D+01 -0.157846D+01 -0.266108D+01  0.210614D+01  0.558503D+00
      3   0.220267D+00  0.122148D+01  0.128454D+01 -0.376756D+01 -0.309196D+01
               201           202           203           204           205 
      1  -0.391334D+00 -0.657878D-01 -0.295893D+01 -0.347664D+01 -0.902349D-01
      2   0.166175D+01 -0.181485D+00  0.517345D+01  0.518401D+01  0.905784D+00
      3   0.203487D+00 -0.117808D+01 -0.256085D+02 -0.546739D+01  0.560691D+00
               206           207           208           209           210 
      1  -0.293378D+00 -0.864914D+00  0.291376D-01  0.470651D+00  0.252207D+00
      2   0.392081D+01  0.167544D+01  0.941146D+01 -0.270039D+01  0.861346D+01
      3  -0.545576D+01 -0.353286D+01  0.865733D+01 -0.717447D+01  0.276257D+01
               211           212           213           214           215 
      1  -0.267913D+00 -0.513596D+00 -0.104246D+01 -0.234193D+00  0.110833D+01
      2  -0.368484D+01  0.400309D+01 -0.497069D+01  0.821236D+01 -0.310482D+01
      3  -0.550100D+01  0.628383D+01 -0.365629D+01  0.345944D+01 -0.570081D+01
               216           217           218           219           220 
      1   0.383814D+00  0.579816D+00 -0.666630D+00 -0.712999D+00 -0.132697D+00
      2   0.688669D+01 -0.524777D+01 -0.649127D+00  0.781850D+01 -0.621901D+00
      3   0.330307D+01  0.169691D+01 -0.221880D+01  0.203744D-01 -0.156749D+01
               221           222           223           224           225 
      1   0.157653D+00 -0.415857D+00 -0.703968D+00  0.291021D+01  0.197047D+01
      2  -0.236517D+01 -0.829516D+00  0.867215D+01 -0.159142D-01 -0.257587D+02
      3  -0.947214D+00  0.234536D+01  0.471251D+00  0.445379D+01  0.330795D+00
               226           227           228           229           230 
      1   0.346272D+01  0.141196D+01 -0.313661D+01  0.177213D+01  0.273425D+01
      2  -0.304291D+01 -0.215952D+01  0.484996D+00 -0.191271D+01 -0.110067D+01
      3   0.185674D+02  0.940393D+01 -0.134545D+01  0.117898D+02  0.106955D+02
               231           232           233           234           235 
      1  -0.290486D+01 -0.164932D+01 -0.906331D+00  0.267463D-01 -0.213302D+01
      2  -0.229840D+00 -0.131778D+01 -0.117118D+01 -0.838726D+00 -0.152684D+01
      3  -0.579553D+00 -0.186295D+01 -0.955115D+00  0.253038D+01 -0.681916D-02
               236           237           238           239           240 
      1  -0.254469D-03  0.332979D+01  0.307589D+00 -0.241515D+01 -0.126328D+01
      2   0.370538D+00  0.321768D+01 -0.856467D-01 -0.202502D+01 -0.796270D+00
      3  -0.379089D+00  0.160072D+01  0.970893D+00 -0.310766D+00  0.161949D+01
               241           242           243           244           245 
      1   0.423777D+01  0.214724D+00 -0.179053D+02  0.556856D+01 -0.358166D+01
      2   0.601422D+00 -0.375451D+01 -0.157315D+02  0.508360D+01 -0.375150D+01
      3   0.258409D+01  0.380478D+01  0.157492D+00 -0.395572D+01 -0.197562D+01
               246           247           248           249           250 
      1   0.504963D+01 -0.348858D+01  0.503516D+01 -0.399759D+01  0.435380D+01
      2   0.550610D+01 -0.296732D+01  0.433834D+01 -0.278672D+01  0.344025D+01
      3  -0.151984D+01  0.217639D+01  0.284251D+01 -0.932698D+00 -0.248473D+01
               251           252           253           254           255 
      1  -0.309188D+01  0.356666D+01 -0.214567D+00 -0.250922D+00 -0.131064D+01
      2  -0.352941D+01  0.353871D+01 -0.261234D+01 -0.939886D+00 -0.106587D+02
      3  -0.306620D+01 -0.549120D+00 -0.956148D+01 -0.514590D+00  0.741626D+00
               256           257           258           259           260 
      1   0.376602D+00  0.131406D+01  0.693665D+01  0.368521D-01  0.919996D+01
      2  -0.203414D+01  0.215751D+01 -0.697396D+01 -0.197633D+02 -0.978564D+00
      3   0.351657D+01  0.201363D+02 -0.177491D+01  0.208231D+01 -0.213069D+01
               261           262           263           264           265 
      1  -0.162146D+01 -0.187766D+00  0.436741D+00  0.167381D+01 -0.172254D-02
      2   0.176577D+01  0.165850D+01  0.151537D+01  0.596930D+01  0.177980D+01
      3   0.252193D+01  0.204618D+02 -0.914938D+00 -0.114058D+01  0.136402D+02
               266           267           268           269           270 
      1   0.827692D+00  0.155841D+01 -0.310094D+01  0.744390D+01 -0.659410D+00
      2   0.196689D+01  0.167568D+02 -0.855378D+01  0.216794D+02 -0.496390D+01
      3  -0.114677D+02 -0.197630D+01 -0.144548D+01 -0.294670D+01 -0.199061D+02
               271           272           273           274           275 
      1   0.741977D+00  0.389951D+00  0.816850D+00  0.146118D+00  0.100372D+00
      2  -0.117960D+01 -0.521944D-01  0.663568D+01  0.485084D+00 -0.246368D+01
      3  -0.847952D+01 -0.612983D+01 -0.495826D+00  0.233524D+01 -0.362568D+02
               276           277           278           279           280 
      1  -0.943496D+01  0.208022D+00  0.551812D+00  0.108787D+01  0.587130D+00
      2   0.104773D+02  0.458055D+01  0.729279D+01 -0.311722D+01  0.396099D+01
      3   0.209063D+01 -0.115734D+01  0.246736D+01 -0.745054D+01  0.472345D+00
               281           282           283           284           285 
      1  -0.122990D+00 -0.899300D-01 -0.566285D+00  0.950654D+00 -0.323439D+01
      2  -0.231045D+00  0.529911D+00 -0.188039D+01  0.857309D+01 -0.110237D+02
      3  -0.379893D+00 -0.530586D+00 -0.310487D+01  0.141001D+02 -0.795365D+01
               286           287           288           289           290 
      1   0.107612D+01 -0.834359D+00  0.477550D+01 -0.112818D+00 -0.372423D-02
      2   0.413228D+01 -0.128085D+02  0.217633D+02 -0.197033D+01 -0.499047D+00
      3   0.152355D+01 -0.101828D+02  0.119725D+02 -0.143977D+02 -0.948934D+01
               291           292           293           294           295 
      1   0.303941D+00  0.841554D-01 -0.384528D-01 -0.783997D+00  0.830300D+00
      2   0.676834D+01 -0.635337D+00 -0.764409D+00  0.193749D+01  0.465009D+01
      3   0.489540D+00 -0.827441D+01 -0.809086D+01  0.636466D+00  0.686482D+00
               296           297           298           299           300 
      1   0.501355D+00 -0.448748D-01 -0.642733D+00 -0.534740D-01 -0.259759D+00
      2  -0.303999D+00 -0.458889D+00 -0.372363D+01 -0.236501D+00  0.177055D+00
      3   0.961672D+00 -0.345477D+00  0.925596D+00  0.330675D+00  0.882995D+00
               301           302           303           304           305 
      1   0.747647D+00 -0.209175D+01 -0.392532D+01  0.973261D+00 -0.159815D+01
      2   0.155001D+01 -0.976193D+01 -0.111858D+02  0.333283D+01 -0.127121D+02
      3  -0.317894D+01  0.187196D+02  0.892935D+01 -0.116384D+01  0.117626D+02
               306 
      1  -0.425038D+01
      2  -0.159451D+02
      3   0.118853D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.202234D+01 -0.102362D+02 -0.188787D+02 -0.800972D+01 -0.990581D+01
      2   0.734826D+01  0.367483D+01 -0.404132D+01  0.408780D+01  0.100056D+02
      3  -0.532593D+01  0.656141D+01  0.229201D+02  0.392191D+01 -0.998310D-01
      4  -0.157171D+02 -0.100566D+02 -0.125226D+02 -0.858306D+01  0.577630D+01
      5  -0.166385D+02 -0.144142D+02 -0.904893D+01 -0.118396D+02 -0.903023D+00
      6  -0.209621D+02 -0.667766D+01  0.495071D+01 -0.511573D+01  0.835684D+01
                 6             7             8             9            10 
      1   0.192256D+01 -0.132808D+02  0.259034D+01  0.139484D+02  0.893954D+01
      2   0.795033D+01 -0.363458D+01  0.625595D+01 -0.682041D+01 -0.200540D+02
      3  -0.987289D+01  0.169154D+02 -0.884629D+01 -0.712801D+01  0.111144D+02
      4  -0.771190D+00 -0.775964D+01 -0.219290D+00  0.236666D-01  0.147031D+01
      5  -0.658373D+01 -0.254419D+01 -0.497182D+01  0.110549D+02  0.406268D+01
      6  -0.543261D+01  0.441583D+01 -0.725816D+01 -0.827223D+01  0.510519D+01
                11            12            13            14            15 
      1  -0.147875D+01 -0.128246D+00 -0.289279D+01 -0.748332D+00 -0.518357D+01
      2  -0.168377D+01  0.865513D+01 -0.669848D+00 -0.264402D+01  0.115476D+02
      3   0.316252D+01 -0.852688D+01  0.356264D+01  0.339235D+01 -0.636398D+01
      4  -0.165477D+02  0.609744D+01 -0.122835D+02 -0.237213D+01  0.962101D+01
      5   0.498475D+01 -0.418728D+01  0.432719D+01  0.742971D+01  0.348807D+01
      6   0.779763D+01 -0.595764D+01  0.602059D+01  0.953231D+01  0.183063D+01
                16            17            18            19            20 
      1  -0.201619D+01 -0.581831D+01 -0.429620D+01  0.190870D+00  0.509562D+01
      2   0.839948D+01  0.139794D+02  0.103206D+02 -0.364175D+00 -0.548609D+01
      3  -0.638329D+01 -0.816109D+01 -0.602444D+01  0.173306D+00  0.390470D+00
      4   0.385670D+01  0.996965D+01 -0.301907D+01  0.856240D+01 -0.389217D+01
      5  -0.389025D+01  0.106114D+01 -0.519298D+01  0.501361D+00  0.107695D+02
      6  -0.482467D+01  0.214140D+01 -0.354196D+01  0.114260D+02  0.375455D+00
                21            22            23            24            25 
      1   0.767410D+01  0.538906D+01  0.432635D+01 -0.787030D+00  0.938320D+01
      2   0.962451D+01 -0.637042D+01  0.834489D+00 -0.895417D+01  0.605998D+01
      3  -0.172986D+02  0.981360D+00 -0.516084D+01  0.974120D+01 -0.154432D+02
      4   0.735477D+01 -0.410682D+01 -0.724227D+01 -0.862305D+01  0.605319D+01
      5  -0.146222D+02  0.104827D+02 -0.942683D+01  0.115952D+02 -0.185002D+02
      6   0.933521D+01 -0.210762D+01 -0.882945D+01 -0.769488D+01  0.796572D+01
                26            27            28            29            30 
      1  -0.188476D+01 -0.157819D+02 -0.162206D+01  0.163178D+01 -0.895528D+01
      2  -0.565650D+01  0.904420D+01  0.864697D+01 -0.278716D+01 -0.677614D+01
      3   0.754126D+01  0.673774D+01 -0.702491D+01  0.115538D+01  0.157314D+02
      4  -0.591037D+01  0.134577D+02  0.155619D+01  0.179548D+01 -0.222734D+00
      5   0.126969D+02 -0.740533D+01 -0.106124D+01 -0.431515D+01 -0.639027D+01
      6  -0.529645D+01  0.854241D+01 -0.743176D+01  0.431283D+00 -0.345320D+01
                31            32            33            34            35 
      1   0.117094D+01  0.125348D+02  0.196335D+01 -0.104860D+02  0.286304D+01
      2  -0.425834D+01 -0.194618D+02  0.999590D+01 -0.497477D+01  0.468039D+01
      3   0.308740D+01  0.692700D+01 -0.119592D+02  0.154607D+02 -0.754343D+01
      4   0.195614D+01  0.350750D+00  0.125258D+01 -0.158382D+01  0.433809D-01
      5  -0.558115D+01  0.560302D+01  0.200575D+01 -0.323139D+01 -0.310152D+00
      6   0.214950D+01  0.181128D+02 -0.120389D+01 -0.429174D+01  0.171463D+01
                36            37            38            39            40 
      1  -0.360612D+01 -0.285284D+02  0.196367D+01  0.106695D+01  0.109044D+02
      2   0.461601D+01  0.147069D+02 -0.209418D+01  0.334207D+00 -0.377681D+01
      3  -0.100988D+01  0.138215D+02  0.130512D+00 -0.140116D+01 -0.712759D+01
      4  -0.353920D+01 -0.217128D+01 -0.817734D+01  0.100446D+01 -0.340438D+01
      5   0.879518D+01  0.871743D+00  0.204982D+01 -0.778125D+01  0.303420D+01
      6  -0.722404D+01  0.407747D+01 -0.124727D+01 -0.372437D+00 -0.229628D+01
                41            42            43            44            45 
      1   0.319905D+01 -0.160858D+01  0.318541D+01 -0.272260D+01  0.869516D+01
      2  -0.442160D+00 -0.197027D+01 -0.457508D+00  0.131259D+01 -0.285363D+01
      3  -0.275689D+01  0.357885D+01 -0.272790D+01  0.141001D+01 -0.584153D+01
      4   0.308834D+00 -0.191338D+01  0.110675D+01 -0.868890D-01 -0.809041D+00
      5  -0.212923D+01 -0.227950D+01 -0.304704D+01 -0.202225D+01 -0.224616D+01
      6  -0.507181D+01 -0.787210D+01  0.421955D+00 -0.573825D+01 -0.154889D+00
                46            47            48            49            50 
      1  -0.174987D+02  0.749166D+01 -0.300175D+01  0.114869D+02 -0.582253D+01
      2   0.315373D+01 -0.532489D+00 -0.166631D+00 -0.475908D+01 -0.528169D+01
      3   0.143450D+02 -0.695917D+01  0.316838D+01 -0.672785D+01  0.111042D+02
      4   0.107116D+02 -0.181559D+01 -0.124554D+01 -0.991017D+00 -0.440457D-01
      5  -0.332107D+01 -0.488333D+01  0.396139D+01 -0.450030D+01 -0.495051D+01
      6  -0.831182D+01  0.707801D+00  0.746389D+00  0.106067D+01 -0.560412D+01
                51            52            53            54            55 
      1   0.546736D+01 -0.627270D+01  0.746504D+01 -0.422849D+00  0.204511D+02
      2  -0.899955D+01  0.127044D+01 -0.117962D+02  0.123261D+00 -0.123467D+02
      3   0.353219D+01  0.500226D+01  0.433116D+01  0.299588D+00 -0.810444D+01
      4  -0.689424D+01  0.128846D+01 -0.901079D+01  0.106355D+01  0.254892D+02
      5  -0.467590D+00  0.174001D+01 -0.175776D+01  0.556273D+01  0.287123D+02
      6   0.466403D+01 -0.645823D-01  0.140249D+01  0.332506D+01  0.168609D+02
                56            57            58            59            60 
      1   0.417156D+01  0.513859D+01  0.357971D+01  0.121133D+01 -0.129743D+01
      2   0.496342D+00 -0.641238D+01  0.144702D+01  0.382897D+01 -0.229155D+00
      3  -0.466790D+01  0.127380D+01 -0.502673D+01 -0.504030D+01  0.152658D+01
      4   0.176068D+02  0.134423D+02  0.156997D+02  0.141093D+02  0.824896D+01
      5   0.144573D+02  0.201367D+02  0.108740D+02  0.109715D+02  0.852619D+01
      6   0.134854D+02  0.116453D+02  0.106096D+02  0.113068D+02  0.103836D+02
                61            62            63            64            65 
      1   0.310525D+01 -0.120430D+01 -0.711780D+00 -0.805112D+01  0.863065D+01
      2  -0.473794D+01 -0.222483D+01 -0.492368D+01 -0.212170D+01 -0.377223D+01
      3   0.163269D+01  0.342913D+01  0.563546D+01  0.101728D+02 -0.485842D+01
      4   0.796248D+01  0.589516D+01  0.854795D+01 -0.307595D+01  0.282654D+01
      5   0.143801D+02  0.818540D+01  0.130499D+02 -0.548469D+01  0.374297D+01
      6   0.767830D+01  0.874472D+01  0.110762D+02  0.101458D+02 -0.834501D+01
                66            67            68            69            70 
      1   0.163216D+02  0.450440D+01 -0.853376D+01 -0.834589D+01  0.105251D+02
      2   0.363985D+01 -0.281034D+01  0.300745D+01  0.218283D+01  0.227981D+01
      3  -0.199615D+02 -0.169406D+01  0.552631D+01  0.616306D+01 -0.128050D+02
      4   0.517450D+01  0.282723D+01 -0.123860D+01  0.127168D+00  0.393861D+01
      5   0.733576D+01  0.269177D+01 -0.124218D+01  0.230177D+00  0.605323D+01
      6  -0.135096D+02 -0.452573D+01  0.869317D+01  0.136077D+02 -0.734622D+01
                71            72            73            74            75 
      1  -0.106529D+02 -0.281153D+02 -0.296926D+01  0.988716D+01  0.107771D+01
      2   0.352515D+00 -0.941686D+01  0.137074D+02 -0.178578D+02 -0.922120D+00
      3   0.103004D+02  0.375321D+02 -0.107381D+02  0.797068D+01 -0.155592D+00
      4   0.346523D+00 -0.187167D+01 -0.157658D+02  0.110261D+02 -0.122828D+01
      5   0.842067D+00 -0.146473D+01 -0.230011D+01  0.711854D+00  0.113172D+01
      6   0.145172D+02  0.242843D+02 -0.172944D+00 -0.202123D+01 -0.450139D+01
                76            77            78            79            80 
      1   0.606330D+01 -0.104276D+02  0.176679D-01  0.619865D+00  0.196732D+00
      2  -0.123425D+02  0.207231D+02 -0.165424D+01 -0.101722D+01 -0.128646D+01
      3   0.627919D+01 -0.102955D+02  0.163657D+01  0.397355D+00  0.108973D+01
      4   0.963781D+01 -0.800995D+01 -0.752289D+00 -0.229936D+00 -0.126974D+01
      5   0.503854D+00 -0.165109D+01 -0.581331D+00  0.234808D+01 -0.584269D+00
      6  -0.145221D+01  0.344333D+00  0.352748D+01 -0.389386D+01  0.526906D+01
                81            82            83            84            85 
      1  -0.229521D+01  0.394178D+01 -0.298444D+01 -0.439680D+00 -0.158615D+01
      2   0.168132D+01  0.809024D+01  0.144164D+02 -0.336673D+01  0.100691D+02
      3   0.613887D+00 -0.120320D+02 -0.114319D+02  0.380641D+01 -0.848298D+01
      4  -0.201238D+01  0.149184D+02  0.183789D+02 -0.615254D+01  0.145485D+02
      5   0.332280D+00 -0.428977D+01 -0.356447D+01  0.507963D+01 -0.255265D+01
      6   0.117500D+01 -0.444876D+01 -0.495374D+01  0.669517D+01 -0.366109D+01
                86            87            88            89            90 
      1  -0.117696D+02  0.356838D+01  0.164949D+00  0.538335D+01 -0.274499D+01
      2   0.307246D+02 -0.861553D+01 -0.332915D+01 -0.114498D+02  0.425708D+01
      3  -0.189550D+02  0.504715D+01  0.316420D+01  0.606644D+01 -0.151210D+01
      4   0.218181D+02 -0.688679D+01 -0.564093D+01 -0.823340D+01  0.715108D+01
      5  -0.538524D+01  0.358717D+01  0.455297D+01  0.436493D+01 -0.459986D+01
      6  -0.917954D+01  0.705610D+01  0.533033D+01  0.920630D+01 -0.743354D+01
                91            92            93            94            95 
      1  -0.317855D+01 -0.248345D+02  0.667990D+01 -0.294214D+02  0.895070D+01
      2   0.892914D+01  0.111269D+02 -0.278773D+01  0.143258D+02 -0.831784D+01
      3  -0.575059D+01  0.137076D+02 -0.389217D+01  0.150956D+02 -0.632856D+00
      4  -0.242948D+02  0.733195D+01 -0.214381D+01  0.516235D+01  0.127788D+02
      5   0.367653D+01 -0.283044D+00  0.130141D+02 -0.135125D+01  0.888737D+01
      6   0.354300D+01 -0.685166D+00 -0.207170D+01 -0.409794D+00 -0.211234D+01
                96            97            98            99           100 
      1  -0.150195D+01  0.670412D+01  0.442761D+00  0.179782D+02  0.953418D+01
      2  -0.204007D+01 -0.199673D+01 -0.485344D+01 -0.631478D+01 -0.120060D+02
      3   0.354202D+01 -0.470738D+01  0.441068D+01 -0.116634D+02  0.247186D+01
      4   0.117689D+02 -0.330224D+01  0.120440D+02 -0.642928D+01 -0.106771D+02
      5  -0.444001D+01  0.151140D+02 -0.370592D+01 -0.166315D+02  0.205448D+02
      6  -0.919697D+00 -0.226340D+01  0.583885D+00  0.380195D+01 -0.864584D+01
               101           102           103           104           105 
      1  -0.313965D+01  0.238735D+01 -0.224275D+01 -0.327573D+01  0.390711D+01
      2   0.360660D+01 -0.110355D+02  0.297090D+01 -0.110002D+01  0.370523D+01
      3  -0.466950D+00  0.864819D+01 -0.728154D+00  0.437575D+01 -0.761233D+01
      4   0.877781D+01 -0.775509D+01  0.931505D+01 -0.960751D+01  0.972636D+01
      5  -0.986195D+01  0.227802D+02 -0.974761D+01  0.117260D+02 -0.122780D+02
      6   0.617103D+01 -0.792073D+01  0.719881D+01 -0.110167D+02  0.144747D+02
               106           107           108           109           110 
      1  -0.815407D+00  0.361047D+01 -0.804822D+01 -0.430997D+00 -0.799914D+00
      2  -0.955761D+01  0.447014D+01 -0.173856D+02  0.304128D+01  0.226923D+01
      3   0.103730D+02 -0.808061D+01  0.254338D+02 -0.261029D+01 -0.146932D+01
      4  -0.608272D+01  0.718848D+01 -0.104492D+02  0.865237D+00  0.564551D+01
      5   0.200894D+02 -0.110696D+02  0.291050D+02 -0.791728D+00 -0.239573D+01
      6  -0.737504D+01  0.116002D+02 -0.152452D+02 -0.336519D+01 -0.152467D+01
               111           112           113           114           115 
      1   0.105768D+01 -0.121694D+01 -0.251029D+02  0.929666D+01  0.271003D+01
      2   0.172261D+00  0.270620D+01  0.356662D+02 -0.736203D+01  0.628237D-01
      3  -0.122994D+01 -0.148926D+01 -0.105633D+02 -0.193463D+01 -0.277285D+01
      4  -0.126584D+01  0.573487D+01  0.150259D+01 -0.107606D+01 -0.230053D+00
      5   0.298884D+01 -0.339496D+01 -0.410587D+01  0.978352D+00  0.252354D+01
      6   0.123290D+01 -0.382195D+01 -0.270675D+02  0.126543D+02  0.173796D+01
               116           117           118           119           120 
      1   0.571184D+01 -0.530258D+01  0.256493D+01 -0.104671D+01  0.449345D+01
      2  -0.256536D+01  0.340111D+01 -0.103385D+02  0.150605D+01  0.759643D+01
      3  -0.314648D+01  0.190146D+01  0.777353D+01 -0.459340D+00 -0.120899D+02
      4   0.174357D-01  0.515634D+00  0.199501D+01  0.140988D+01 -0.161217D+01
      5   0.685926D+00 -0.166484D+01 -0.126410D+02  0.127698D+01  0.128391D+02
      6   0.966483D+01 -0.620087D+01  0.153651D+00 -0.255586D+01  0.213939D+01
               121           122           123           124           125 
      1  -0.486660D+00 -0.355652D+01 -0.308605D+01  0.383119D+01 -0.230351D+00
      2   0.293196D+01  0.833394D+00 -0.482263D+01  0.774080D+01 -0.265073D+01
      3  -0.244530D+01  0.272312D+01  0.790868D+01 -0.115720D+02  0.288108D+01
      4   0.123110D+01 -0.655573D+00 -0.103120D+01 -0.156739D+01 -0.108083D+01
      5   0.424415D+01 -0.293634D+01 -0.363922D+01  0.119836D+02 -0.416200D+00
      6  -0.252630D+01  0.216108D+00  0.441108D+01  0.227204D+01  0.437309D+01
               126           127           128           129           130 
      1  -0.124301D+02  0.697666D+01  0.113355D+01  0.110875D+01  0.348861D+01
      2  -0.137271D+02 -0.238352D+01 -0.132092D+00 -0.474533D+00 -0.139823D+01
      3   0.261572D+02 -0.459314D+01 -0.100146D+01 -0.634215D+00 -0.209038D+01
      4   0.189063D+01  0.240085D+01  0.287485D+01  0.188035D+01  0.406258D+01
      5  -0.134835D+02  0.217947D+01  0.143120D+01  0.272250D+01  0.210787D+01
      6  -0.193773D+01  0.283296D+01  0.112688D+01  0.162356D+01  0.149218D+01
               131           132           133           134           135 
      1  -0.816444D+01 -0.441650D+01  0.187850D+01 -0.376147D+01 -0.777487D+01
      2   0.991577D+01  0.404269D+01 -0.149579D+01  0.242671D+01  0.155666D+01
      3  -0.175133D+01  0.373814D+00 -0.382716D+00  0.133476D+01  0.621821D+01
      4   0.287418D+01  0.237815D+01  0.206103D+01  0.202742D+01  0.227182D+01
      5   0.234990D+01  0.257115D+01  0.352292D+01  0.251476D+01  0.406102D+01
      6   0.862205D+01  0.804349D+01  0.139092D+01  0.723291D+01  0.823505D+01
               136           137           138           139           140 
      1   0.219608D+02 -0.589181D+01  0.383212D+01 -0.217176D+02 -0.291099D+01
      2  -0.114271D+02  0.165002D+01 -0.192449D+01  0.117411D+02  0.497014D+01
      3  -0.105337D+02  0.424179D+01 -0.190764D+01  0.997651D+01 -0.205915D+01
      4  -0.435801D+01  0.148774D+02 -0.114811D+01  0.105320D+02 -0.528552D+01
      5   0.260938D+01 -0.103186D+01  0.144584D+02 -0.177708D+01  0.126513D+01
      6  -0.537516D+00 -0.409609D+00  0.315912D+00  0.266953D+00  0.194155D+00
               141           142           143           144           145 
      1   0.252258D+00  0.283326D+01  0.476011D+00 -0.425210D+01  0.110841D+02
      2   0.457645D+00 -0.904497D+00 -0.458707D-01  0.661805D+00 -0.120043D+01
      3  -0.709904D+00 -0.192876D+01 -0.430140D+00  0.359030D+01 -0.988362D+01
      4   0.143821D+01 -0.937261D+00 -0.420726D-01 -0.258442D+01 -0.676278D+01
      5   0.460272D+00  0.177385D+01 -0.115941D+01  0.733144D+00  0.416093D+01
      6   0.506867D+01  0.992697D+00  0.350606D+01 -0.711935D+00  0.250660D+02
               146           147           148           149           150 
      1  -0.632841D+01  0.484232D+01 -0.632173D+01  0.984761D+01  0.573252D+01
      2   0.337472D+01 -0.290350D+01  0.337876D+01  0.860859D+01  0.753834D+01
      3   0.295368D+01 -0.193882D+01  0.294297D+01 -0.184562D+02 -0.132709D+02
      4  -0.871213D+01  0.971858D+01 -0.859089D+01  0.190028D+01  0.548026D+01
      5   0.205926D+02 -0.166526D+02  0.205105D+02  0.424451D+01  0.183301D+01
      6  -0.159358D+01 -0.115369D+00 -0.154178D+01 -0.387605D+01 -0.205109D+02
               151           152           153           154           155 
      1   0.423981D+01  0.321123D+01 -0.661756D+01 -0.128643D+01  0.290466D+02
      2  -0.183153D+01  0.819417D+01 -0.517386D+01  0.114262D+01 -0.146451D+02
      3  -0.240828D+01 -0.114054D+02  0.117914D+02  0.143817D+00 -0.144015D+02
      4   0.596351D+01  0.491816D+01  0.130168D+01  0.289727D+02 -0.413098D+01
      5  -0.129464D+02  0.176147D+01 -0.365844D+01 -0.158346D+02  0.421735D+01
      6  -0.146227D+00 -0.148127D+02 -0.109943D+02 -0.101402D+01 -0.448380D+00
               156           157           158           159           160 
      1  -0.175091D+02  0.348005D+02 -0.650997D+01  0.772354D+01 -0.218081D+02
      2   0.568017D+01 -0.189791D+02 -0.579475D+00 -0.429308D+01  0.518060D+01
      3   0.118289D+02 -0.158214D+02  0.708944D+01 -0.343046D+01  0.166275D+02
      4   0.443819D+01 -0.762756D+01 -0.252757D+02 -0.144405D+02  0.670348D+01
      5  -0.202758D+02  0.728117D+01 -0.135694D+02  0.566857D+01 -0.301222D+02
      6  -0.445535D+00 -0.101114D+01  0.516149D+00  0.109238D+01 -0.330971D+00
               161           162           163           164           165 
      1   0.704261D+01 -0.225056D+02  0.863469D+01  0.235189D+02 -0.836624D+01
      2  -0.400160D+01  0.188878D+02 -0.220810D+02 -0.108187D+02 -0.333223D+01
      3  -0.304101D+01  0.361772D+01  0.134463D+02 -0.127001D+02  0.116985D+02
      4  -0.146748D+02  0.474566D+01  0.205176D+02 -0.208004D+02  0.971287D+01
      5   0.509585D+01  0.315393D+02 -0.838041D+01  0.219313D+01 -0.883559D+01
      6   0.543039D+00  0.182089D+01  0.399720D+01 -0.607537D+01  0.820097D+01
               166           167           168           169           170 
      1   0.238715D+02 -0.928091D+01 -0.705618D+00 -0.103555D+02  0.147773D+01
      2  -0.117867D+02  0.771321D+01  0.966307D+01 -0.450601D+01  0.125749D+02
      3  -0.120848D+02  0.156769D+01 -0.895746D+01  0.148616D+02 -0.140526D+02
      4  -0.171410D+02 -0.682714D+01 -0.135610D+02  0.123551D+02 -0.164066D+02
      5   0.172477D+01 -0.110912D+02  0.211310D+01 -0.122115D+02  0.657009D+01
      6  -0.521254D+01  0.119495D+02  0.224675D-01  0.107208D+02 -0.393590D+01
               171           172           173           174           175 
      1  -0.371966D+01 -0.576568D+01  0.741037D+01 -0.113648D+02  0.595055D+01
      2   0.111289D+02 -0.859906D+00 -0.390088D+01 -0.347406D+01 -0.391136D+01
      3  -0.740923D+01  0.662559D+01 -0.350949D+01  0.148389D+02 -0.203919D+01
      4   0.121846D+02 -0.726726D+01  0.557550D+01 -0.452582D+01  0.600436D+01
      5   0.241444D+02  0.184832D+02 -0.100736D+02  0.119199D+02 -0.106972D+02
      6  -0.185308D+02 -0.145221D+02  0.120448D+02 -0.110110D+02  0.102538D+02
               176           177           178           179           180 
      1  -0.108047D+02  0.853536D+01 -0.570805D+01  0.516091D+01 -0.931275D+01
      2   0.605260D+01 -0.103598D+01 -0.260298D+01  0.674886D-01 -0.278602D+01
      3   0.475206D+01 -0.749938D+01  0.831103D+01 -0.522840D+01  0.120988D+02
      4  -0.383407D+01  0.121663D+01 -0.254224D+01  0.103233D+01 -0.239961D+01
      5   0.566395D+01 -0.461484D+01  0.831058D+01 -0.356977D+01  0.769104D+01
      6  -0.138437D+02  0.142116D+02 -0.635350D+01  0.904551D+01 -0.869294D+01
               181           182           183           184           185 
      1   0.723072D+01 -0.877498D-01  0.363509D+01  0.105540D+01 -0.515797D+01
      2  -0.729992D+01  0.420366D-01  0.733251D+01  0.504387D-01  0.280821D+01
      3   0.691991D-01  0.457132D-01 -0.109676D+02 -0.110584D+01  0.234975D+01
      4   0.137258D+02  0.108378D+02 -0.808835D+01  0.103537D+02  0.981644D+01
      5  -0.238154D+02 -0.133767D+02  0.187217D+02 -0.129863D+02 -0.105616D+02
      6  -0.135143D+02 -0.111116D+02  0.105345D+02 -0.924616D+01 -0.130073D+02
               186           187           188           189           190 
      1   0.542794D+01  0.164517D+01  0.292860D+01 -0.421949D+01 -0.221574D+01
      2   0.616305D+00  0.495858D+01  0.115828D+01 -0.561046D+01 -0.194093D+01
      3  -0.604425D+01 -0.660375D+01 -0.408688D+01  0.982995D+01  0.415666D+01
      4  -0.657948D+01 -0.467454D+01 -0.408464D+01  0.566125D+01 -0.366342D+00
      5   0.890797D+01  0.132679D+02  0.658457D+01 -0.127509D+02 -0.855459D+00
      6   0.134550D+02  0.659548D+01  0.901168D+01 -0.850465D+01  0.106689D+01
               191           192           193           194           195 
      1  -0.681023D+00 -0.227911D+01 -0.109194D+01 -0.876143D+01 -0.139809D+02
      2  -0.455007D+00  0.318074D+00 -0.291377D+00 -0.361461D+01 -0.110233D+02
      3   0.113603D+01  0.196104D+01  0.138331D+01  0.123760D+02  0.250041D+02
      4   0.286916D+01 -0.186268D+00  0.299881D+01 -0.605487D+01 -0.310481D+01
      5   0.178255D+01  0.694657D+01  0.366737D+01 -0.267090D+01 -0.444061D+01
      6   0.859103D+00  0.700329D+00  0.672348D+00  0.212748D+02  0.155528D+02
               196           197           198           199           200 
      1  -0.140260D+01 -0.755481D+01 -0.139706D+02  0.388465D+01  0.588786D+01
      2   0.315488D+00 -0.717044D+01 -0.130431D+02  0.144983D+00 -0.811447D+00
      3   0.108712D+01  0.147253D+02  0.270137D+02 -0.402963D+01 -0.507642D+01
      4   0.889206D-01 -0.244888D+01 -0.317132D+01  0.727014D+01  0.106954D+02
      5   0.556909D+01 -0.273804D+01 -0.457861D+01  0.382569D+01  0.846664D+00
      6   0.282657D+00  0.123997D+02  0.128548D+02  0.552578D+00  0.583275D-01
               201           202           203           204           205 
      1   0.419790D+01  0.142051D+02  0.360750D+01 -0.174792D+01  0.762638D+01
      2  -0.168416D+01 -0.439301D+01  0.965965D+01  0.226413D+01 -0.300217D+01
      3  -0.251373D+01 -0.981210D+01 -0.132672D+02 -0.516212D+00 -0.462421D+01
      4   0.127125D+01  0.171108D+02  0.417465D+02  0.733935D+01  0.206411D+01
      5   0.332613D+01 -0.326663D+00  0.700957D+01  0.694210D+01  0.571137D+01
      6   0.457147D+00 -0.472449D+00 -0.234879D-01  0.364685D+01  0.628816D+00
               206           207           208           209           210 
      1  -0.184794D+00  0.191211D+01  0.642486D+02 -0.164148D+02  0.177700D+02
      2   0.121486D+01 -0.144137D+01 -0.319658D+02  0.759528D+01 -0.922110D+01
      3  -0.103006D+01 -0.470742D+00 -0.322828D+02  0.881948D+01 -0.854888D+01
      4   0.806759D+01  0.560251D+01 -0.173822D+02  0.117312D+02 -0.457048D+01
      5   0.565877D+01  0.105930D+01  0.189629D+02 -0.468910D+01  0.146968D+02
      6   0.329997D+01  0.136153D+01 -0.392622D+00  0.519109D+00 -0.356779D+00
               211           212           213           214           215 
      1  -0.295719D+02  0.121417D+02 -0.604363D+01  0.307365D+02 -0.617118D+01
      2   0.137580D+02 -0.329190D+01  0.311558D+01 -0.160423D+02  0.306314D+01
      3   0.158140D+02 -0.884983D+01  0.292805D+01 -0.146942D+02  0.310804D+01
      4   0.173098D+02 -0.122224D+02  0.737409D+01 -0.751569D+01  0.923147D+01
      5  -0.740904D+01  0.723794D+01 -0.834513D+01  0.219373D+02 -0.663714D+01
      6   0.129366D+01 -0.107097D+01  0.171320D+01 -0.120106D+01  0.184530D+01
               216           217           218           219           220 
      1   0.158172D+02  0.184011D+02 -0.253266D+01 -0.117241D+02 -0.577105D+01
      2  -0.109526D+02 -0.127686D+02  0.134512D+01  0.917791D+01  0.334836D+01
      3  -0.486469D+01 -0.563259D+01  0.118754D+01  0.254616D+01  0.242269D+01
      4  -0.611760D+01 -0.171655D+01  0.357416D+01 -0.141947D+01  0.643405D+01
      5   0.130622D+02 -0.160389D+02 -0.975688D+00  0.189511D+02 -0.170910D-01
      6  -0.161772D+01 -0.571740D+00 -0.104470D+01  0.956012D+00 -0.215916D+01
               221           222           223           224           225 
      1   0.236872D+01 -0.717903D+00 -0.216388D+02 -0.198163D+01  0.125997D+02
      2  -0.152349D+01  0.672351D-01  0.173649D+02  0.109144D+01 -0.215779D+02
      3  -0.845234D+00  0.650668D+00  0.427391D+01  0.890194D+00  0.897819D+01
      4   0.169460D+01 -0.573469D+01 -0.229984D+01 -0.700932D+01 -0.697692D-01
      5  -0.534323D+01 -0.195351D+01  0.309322D+02 -0.336374D+00 -0.483345D+02
      6   0.228332D+00  0.415830D+01  0.101622D+01  0.423021D+01 -0.274180D+01
               226           227           228           229           230 
      1  -0.151673D+02 -0.172539D+02  0.275340D+00 -0.134372D+02 -0.182455D+02
      2   0.154991D+02  0.206659D+02  0.547393D+00  0.145688D+02  0.254247D+02
      3  -0.331753D+00 -0.341203D+01 -0.822733D+00 -0.113161D+01 -0.717918D+01
      4   0.899139D+01  0.208670D+01 -0.257409D+01  0.622073D+01 -0.189097D+00
      5   0.497423D+01  0.104069D+01 -0.348822D+00  0.198729D+01  0.281115D+01
      6  -0.199918D+00  0.385023D+01  0.386543D+01  0.170973D+01  0.197266D+01
               231           232           233           234           235 
      1  -0.296438D+00  0.217924D+01  0.413430D+00 -0.390847D+01  0.374216D+01
      2  -0.857983D+00 -0.351895D+00 -0.315881D+01  0.222276D+01 -0.231158D+01
      3   0.115442D+01 -0.182735D+01  0.274538D+01  0.168570D+01 -0.143058D+01
      4   0.836468D+00 -0.246616D+01  0.295028D+01 -0.286954D+00 -0.741479D+01
      5  -0.852800D+00  0.923657D+00 -0.152913D+01 -0.158670D+01 -0.842449D+01
      6   0.393112D+01  0.209499D+01  0.428293D+01  0.144414D+01  0.460202D+01
               236           237           238           239           240 
      1  -0.274761D+01 -0.420154D+01 -0.446459D+00 -0.171219D+01 -0.329891D+01
      2   0.271240D+00  0.515556D+01 -0.934925D+00  0.501356D+00  0.382269D+01
      3   0.247637D+01 -0.954014D+00  0.138138D+01  0.121084D+01 -0.523773D+00
      4   0.751983D+01  0.537789D+01  0.471831D+01 -0.254403D+01 -0.446742D+01
      5   0.331960D+01  0.119019D+02  0.743753D+00 -0.440681D+01 -0.286365D+01
      6  -0.221241D+01 -0.659088D+01 -0.165294D+01  0.446401D+01  0.821826D+01
               241           242           243           244           245 
      1  -0.406369D+01 -0.522934D+01 -0.891013D+01  0.247025D+02 -0.119412D+02
      2   0.602604D+01  0.440210D+01 -0.122197D+02  0.678876D+00 -0.795653D+01
      3  -0.196236D+01  0.827240D+00  0.211299D+02 -0.253813D+02  0.198977D+02
      4   0.791666D+01 -0.993871D+01 -0.130841D+02 -0.353018D+02  0.317716D+02
      5   0.153716D+02 -0.103062D+02 -0.341317D+02  0.543381D+01 -0.290944D+01
      6  -0.948757D+01  0.142116D+02  0.293157D+02 -0.520546D+01  0.329060D+01
               246           247           248           249           250 
      1   0.611282D+01 -0.799161D+01  0.340809D+01 -0.326570D+00  0.968696D+01
      2   0.350967D+00 -0.752001D+01  0.164353D+02 -0.469194D+01  0.794633D+00
      3  -0.646379D+01  0.155116D+02 -0.198434D+02  0.501851D+01 -0.104816D+02
      4  -0.814356D+01  0.249530D+02 -0.284276D+02  0.805718D+01 -0.150963D+02
      5   0.793476D+01 -0.233890D+01  0.515194D+01 -0.386970D+01  0.917361D+01
      6  -0.707239D+01  0.330669D+01 -0.531358D+01  0.509311D+01 -0.782718D+01
               251           252           253           254           255 
      1  -0.171489D+01  0.370652D+01 -0.126561D+02  0.923192D+01 -0.183398D+01
      2  -0.861597D+01  0.925659D-01  0.516952D+01 -0.212343D+01  0.121664D+01
      3   0.103309D+02 -0.379908D+01  0.748656D+01 -0.710849D+01  0.617339D+00
      4   0.166196D+02 -0.107096D+02  0.116952D+02 -0.126561D+02 -0.751155D+00
      5  -0.717433D+01  0.557295D+01 -0.158184D+01 -0.563831D+00 -0.166520D+02
      6   0.767013D+01 -0.555550D+01  0.237702D+00 -0.235255D+00  0.212324D+01
               256           257           258           259           260 
      1  -0.124160D+01 -0.186287D+01 -0.223420D+01 -0.705366D+00 -0.748544D+00
      2  -0.198736D+01 -0.105411D+02  0.181965D+00  0.190413D+00  0.179194D+01
      3   0.322896D+01  0.124040D+02  0.205223D+01  0.514953D+00 -0.104340D+01
      4  -0.272386D+02 -0.378612D+02  0.197755D+01  0.205490D+01  0.331281D+01
      5   0.975055D+00  0.176448D+01 -0.111980D+02  0.442741D+01 -0.487108D+01
      6  -0.102627D+01  0.717706D+00 -0.835537D+01  0.904234D+00  0.372600D+01
               261           262           263           264           265 
      1  -0.314528D+01 -0.277701D+02 -0.341010D+02  0.320327D+01 -0.524720D+02
      2  -0.547278D+01  0.182388D+02  0.155947D+02 -0.208620D+01  0.256538D+02
      3   0.861806D+01  0.953127D+01  0.185063D+02 -0.111707D+01  0.268182D+02
      4  -0.463423D+01 -0.373091D+02  0.596443D+01  0.127565D+01 -0.548647D+01
      5   0.351723D+01  0.320750D+01  0.111614D+01  0.519861D+01  0.108761D+01
      6   0.190855D+01 -0.917462D+00 -0.476308D+00 -0.228167D+01 -0.171765D+00
               266           267           268           269           270 
      1  -0.310055D+01  0.191250D+01  0.608797D+01  0.224939D+01  0.449876D+01
      2   0.258608D+01 -0.341057D+01 -0.229803D+01 -0.416324D+01 -0.482081D+01
      3   0.514471D+00  0.149807D+01 -0.378993D+01  0.191385D+01  0.322047D+00
      4   0.189750D+02  0.344199D+01  0.180318D+01  0.439386D+01  0.354800D+02
      5   0.382875D+01  0.312206D+02 -0.855001D+01  0.374947D+02 -0.885906D+01
      6  -0.191603D+01 -0.106119D+02  0.504676D+01 -0.139589D+02  0.295937D+01
               271           272           273           274           275 
      1   0.163364D+02  0.123042D+02 -0.176485D+01  0.370289D+02 -0.112549D+02
      2  -0.544617D+01 -0.395203D+01  0.611230D+00 -0.108313D+02  0.324562D+02
      3  -0.108903D+02 -0.835218D+01  0.115362D+01 -0.261975D+02 -0.212013D+02
      4   0.190905D+02  0.202975D+02 -0.503297D+00  0.345106D+02  0.723482D+02
      5  -0.125832D+01 -0.425518D+00  0.107301D+02 -0.692142D-01 -0.292187D+01
      6  -0.260245D+00  0.120575D+00  0.616176D+00  0.899878D+00 -0.330462D+00
               276           277           278           279           280 
      1   0.193158D+01 -0.366449D+01  0.961543D+00 -0.892602D-01  0.722729D+01
      2  -0.990551D+00  0.167840D+01 -0.131534D+01  0.589846D+00 -0.436430D+01
      3  -0.941033D+00  0.198610D+01  0.353799D+00 -0.500586D+00 -0.286299D+01
      4  -0.295524D+01 -0.156918D+01 -0.408110D+01  0.163415D+02 -0.227547D+01
      5   0.161329D+02  0.134448D+02  0.153926D+02 -0.441447D+01  0.831636D+01
      6   0.144962D+02  0.348680D+01  0.113684D+02 -0.213463D+01 -0.342832D+01
               281           282           283           284           285 
      1  -0.287904D+01  0.893330D+01 -0.679658D+01 -0.397037D+00  0.200324D+01
      2   0.153865D+01 -0.420128D+01  0.216899D+01  0.498248D+01 -0.236304D+01
      3   0.134039D+01 -0.473202D+01  0.462759D+01 -0.458544D+01  0.359801D+00
      4   0.237534D+01 -0.347251D+01  0.135117D+02 -0.281473D+02  0.155220D+02
      5  -0.278881D+01  0.429472D+01 -0.641561D+01  0.159716D+02 -0.208977D+02
      6   0.237874D+00 -0.172444D+00  0.298961D+01 -0.924107D+01  0.105968D+02
               286           287           288           289           290 
      1   0.175939D+02 -0.800243D-01 -0.278548D+01  0.989977D+02  0.193465D+02
      2  -0.987932D+01 -0.631242D+00 -0.467288D+01 -0.526501D+02 -0.110838D+02
      3  -0.771462D+01  0.711267D+00  0.745836D+01 -0.463476D+02 -0.826261D+01
      4  -0.118819D+02  0.202257D+02 -0.228731D+02  0.143687D+02  0.139584D+02
      5   0.163767D+02 -0.243355D+02  0.410065D+02 -0.154089D+01 -0.300685D+00
      6  -0.491300D+01  0.121988D+02 -0.145950D+02  0.869444D+00  0.341375D+00
               291           292           293           294           295 
      1  -0.240879D+01  0.395040D+02  0.158078D+02 -0.741652D+00 -0.549766D+01
      2   0.120878D+01 -0.211294D+02 -0.777652D+01  0.623093D+00  0.285329D+01
      3   0.120001D+01 -0.183746D+02 -0.803129D+01  0.118559D+00  0.264437D+01
      4  -0.325882D+00  0.173237D+02  0.142817D+02 -0.107833D+01 -0.494111D+00
      5   0.129875D+02 -0.355761D+00 -0.100244D+01  0.402786D+01  0.153485D+02
      6  -0.622096D+00  0.380106D+00  0.460759D+00  0.192904D+01 -0.358998D+00
               296           297           298           299           300 
      1  -0.909343D+00  0.111437D+02  0.625016D+01 -0.382801D+01 -0.798860D+01
      2   0.848667D+00 -0.668516D+01 -0.263605D+01  0.214649D+01  0.370681D+01
      3   0.606763D-01 -0.445856D+01 -0.361411D+01  0.168152D+01  0.428179D+01
      4  -0.154966D+01 -0.238345D-01 -0.258652D+01  0.211125D+01  0.271070D+01
      5   0.440569D+00 -0.733256D+00 -0.704207D+01  0.192136D+01  0.207712D+01
      6   0.251487D+01 -0.137414D+00  0.336539D+01  0.200379D+00  0.316504D+00
               301           302           303           304           305 
      1  -0.905955D+01 -0.151772D+01 -0.307555D+01 -0.165032D+02 -0.107000D+01
      2   0.248775D+01  0.967695D+01  0.500797D+01  0.796260D+01  0.396693D+01
      3   0.657181D+01 -0.815923D+01 -0.193242D+01  0.854061D+01 -0.289693D+01
      4   0.153992D+02 -0.362841D+02 -0.167146D+02  0.106570D+02 -0.222367D+02
      5   0.511704D+01 -0.176188D+02 -0.209831D+02  0.122695D+02 -0.236963D+02
      6  -0.267070D+01  0.101430D+02  0.101029D+02 -0.414604D+01  0.118258D+02
               306 
      1  -0.289372D+01
      2  -0.245640D+00
      3   0.313936D+01
      4  -0.221547D+02
      5  -0.293280D+02
      6   0.117236D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 20:29:24 2021, MaxMem= 17179869184 cpu:           40283.9 elap:            3365.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50510 -19.45255 -10.57700 -10.49197 -10.44776
 Alpha  occ. eigenvalues --  -10.44737 -10.44579 -10.43671 -10.43123 -10.42951
 Alpha  occ. eigenvalues --  -10.42723 -10.42636 -10.42624 -10.42585  -1.23716
 Alpha  occ. eigenvalues --   -1.13999  -1.02513  -0.91189  -0.89625  -0.89089
 Alpha  occ. eigenvalues --   -0.86791  -0.80882  -0.80367  -0.76279  -0.74952
 Alpha  occ. eigenvalues --   -0.69909  -0.65460  -0.64444  -0.61352  -0.60605
 Alpha  occ. eigenvalues --   -0.60171  -0.59073  -0.58838  -0.56051  -0.55067
 Alpha  occ. eigenvalues --   -0.53141  -0.52761  -0.52091  -0.51227  -0.50461
 Alpha  occ. eigenvalues --   -0.50336  -0.49050  -0.48782  -0.47588  -0.47198
 Alpha  occ. eigenvalues --   -0.45804  -0.44182  -0.43660  -0.42083  -0.41856
 Alpha  occ. eigenvalues --   -0.40128  -0.39611  -0.39453  -0.38380
 Alpha virt. eigenvalues --    0.04272   0.05476   0.06078   0.06213   0.07603
 Alpha virt. eigenvalues --    0.08427   0.08559   0.08921   0.09476   0.10215
 Alpha virt. eigenvalues --    0.11062   0.12066   0.13121   0.13352   0.13721
 Alpha virt. eigenvalues --    0.14728   0.14810   0.15357   0.16448   0.16819
 Alpha virt. eigenvalues --    0.17142   0.17736   0.19165   0.19409   0.19699
 Alpha virt. eigenvalues --    0.20493   0.20871   0.21502   0.21889   0.22495
 Alpha virt. eigenvalues --    0.23192   0.23462   0.23903   0.24376   0.24904
 Alpha virt. eigenvalues --    0.25241   0.25689   0.26181   0.27831   0.28022
 Alpha virt. eigenvalues --    0.28277   0.29009   0.29396   0.30326   0.30428
 Alpha virt. eigenvalues --    0.30803   0.31330   0.31467   0.31990   0.32724
 Alpha virt. eigenvalues --    0.33521   0.33609   0.34012   0.34701   0.34952
 Alpha virt. eigenvalues --    0.35206   0.35666   0.36180   0.36449   0.36658
 Alpha virt. eigenvalues --    0.37111   0.37348   0.37506   0.37896   0.38257
 Alpha virt. eigenvalues --    0.38464   0.38595   0.39020   0.39158   0.39792
 Alpha virt. eigenvalues --    0.40000   0.40363   0.40531   0.40658   0.41395
 Alpha virt. eigenvalues --    0.41558   0.41886   0.42100   0.42896   0.43134
 Alpha virt. eigenvalues --    0.43334   0.43914   0.44444   0.44605   0.44629
 Alpha virt. eigenvalues --    0.45179   0.45283   0.45766   0.46163   0.46502
 Alpha virt. eigenvalues --    0.46995   0.47286   0.48018   0.48429   0.48823
 Alpha virt. eigenvalues --    0.48987   0.49511   0.49873   0.50498   0.50729
 Alpha virt. eigenvalues --    0.51405   0.51728   0.52013   0.52392   0.52870
 Alpha virt. eigenvalues --    0.53021   0.53438   0.54037   0.54625   0.54919
 Alpha virt. eigenvalues --    0.55459   0.55736   0.55901   0.56528   0.56743
 Alpha virt. eigenvalues --    0.57479   0.57642   0.58542   0.58577   0.58974
 Alpha virt. eigenvalues --    0.59564   0.60380   0.60954   0.61282   0.61609
 Alpha virt. eigenvalues --    0.62137   0.62454   0.63050   0.63233   0.63789
 Alpha virt. eigenvalues --    0.63862   0.64724   0.64973   0.65407   0.65872
 Alpha virt. eigenvalues --    0.66127   0.66774   0.66931   0.67374   0.67934
 Alpha virt. eigenvalues --    0.68545   0.68761   0.69079   0.69887   0.69987
 Alpha virt. eigenvalues --    0.70481   0.71394   0.71669   0.72652   0.73461
 Alpha virt. eigenvalues --    0.74297   0.74652   0.75404   0.76288   0.76633
 Alpha virt. eigenvalues --    0.76781   0.77879   0.78641   0.79921   0.80778
 Alpha virt. eigenvalues --    0.81251   0.82102   0.82333   0.83069   0.83410
 Alpha virt. eigenvalues --    0.83844   0.84094   0.85182   0.85478   0.86030
 Alpha virt. eigenvalues --    0.87161   0.87640   0.88755   0.88963   0.89865
 Alpha virt. eigenvalues --    0.90547   0.90944   0.92177   0.93241   0.94418
 Alpha virt. eigenvalues --    0.94854   0.95763   0.95884   0.98657   0.99838
 Alpha virt. eigenvalues --    1.00648   1.01276   1.02436   1.03372   1.04870
 Alpha virt. eigenvalues --    1.05033   1.06091   1.06711   1.07091   1.07823
 Alpha virt. eigenvalues --    1.07979   1.08791   1.09238   1.09854   1.10701
 Alpha virt. eigenvalues --    1.11496   1.11949   1.12361   1.13604   1.14744
 Alpha virt. eigenvalues --    1.14862   1.16273   1.16521   1.16745   1.18356
 Alpha virt. eigenvalues --    1.19012   1.20034   1.21847   1.22203   1.23254
 Alpha virt. eigenvalues --    1.24186   1.25779   1.27250   1.28342   1.29182
 Alpha virt. eigenvalues --    1.29628   1.33293   1.35003   1.36117   1.37128
 Alpha virt. eigenvalues --    1.38161   1.39280   1.40047   1.41103   1.41924
 Alpha virt. eigenvalues --    1.42709   1.45128   1.46078   1.47431   1.49163
 Alpha virt. eigenvalues --    1.49761   1.51009   1.52302   1.53699   1.54520
 Alpha virt. eigenvalues --    1.55029   1.56416   1.59243   1.60814   1.61908
 Alpha virt. eigenvalues --    1.63585   1.65012   1.65652   1.65923   1.67558
 Alpha virt. eigenvalues --    1.69113   1.69645   1.71676   1.72595   1.74344
 Alpha virt. eigenvalues --    1.74882   1.75520   1.76873   1.79051   1.80036
 Alpha virt. eigenvalues --    1.82683   1.83579   1.83784   1.86384   1.87156
 Alpha virt. eigenvalues --    1.88455   1.89169   1.90539   1.92199   1.92730
 Alpha virt. eigenvalues --    1.93618   1.93758   1.95129   1.96450   1.97047
 Alpha virt. eigenvalues --    1.97237   1.98955   2.00768   2.01234   2.02307
 Alpha virt. eigenvalues --    2.02660   2.04918   2.05475   2.06579   2.07000
 Alpha virt. eigenvalues --    2.07805   2.08779   2.08894   2.09659   2.11005
 Alpha virt. eigenvalues --    2.11621   2.13316   2.14421   2.14851   2.15539
 Alpha virt. eigenvalues --    2.16058   2.17374   2.17906   2.19586   2.20138
 Alpha virt. eigenvalues --    2.21322   2.22124   2.23241   2.24339   2.24544
 Alpha virt. eigenvalues --    2.25304   2.27511   2.28936   2.29305   2.30122
 Alpha virt. eigenvalues --    2.31206   2.32446   2.34135   2.34763   2.35777
 Alpha virt. eigenvalues --    2.36143   2.37057   2.37679   2.38819   2.39098
 Alpha virt. eigenvalues --    2.40945   2.41888   2.43058   2.44111   2.46264
 Alpha virt. eigenvalues --    2.47648   2.47760   2.49958   2.51142   2.51634
 Alpha virt. eigenvalues --    2.52963   2.54798   2.55848   2.57242   2.58331
 Alpha virt. eigenvalues --    2.59741   2.61558   2.61694   2.63432   2.64789
 Alpha virt. eigenvalues --    2.67476   2.68230   2.69098   2.71763   2.73960
 Alpha virt. eigenvalues --    2.75627   2.76431   2.76743   2.77417   2.78204
 Alpha virt. eigenvalues --    2.79054   2.79851   2.81368   2.81711   2.86835
 Alpha virt. eigenvalues --    2.87986   2.88237   2.90531   2.91782   2.93578
 Alpha virt. eigenvalues --    2.96180   3.02909   3.05558   3.06948   3.09813
 Alpha virt. eigenvalues --    3.11545   3.12683   3.14245   3.15671   3.16625
 Alpha virt. eigenvalues --    3.16849   3.19356   3.19917   3.22826   3.24043
 Alpha virt. eigenvalues --    3.24941   3.26689   3.27087   3.28145   3.29704
 Alpha virt. eigenvalues --    3.30252   3.34714   3.36095   3.36555   3.37511
 Alpha virt. eigenvalues --    3.39824   3.41616   3.42506   3.49480   3.71289
 Alpha virt. eigenvalues --    3.84457   3.91498
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.273359  -0.231969  -0.089074   0.101419  -0.252125   0.456308
     2  C   -0.231969   6.361098   0.342762  -0.207248   0.308364  -0.729058
     3  C   -0.089074   0.342762   7.508294  -0.389170   0.640403  -0.562802
     4  C    0.101419  -0.207248  -0.389170   5.980326  -0.734442   0.178023
     5  C   -0.252125   0.308364   0.640403  -0.734442  12.047838  -3.705196
     6  C    0.456308  -0.729058  -0.562802   0.178023  -3.705196  19.716308
     7  H    0.351337  -0.174479  -0.185642   0.063799   0.009223  -0.175432
     8  H   -0.031414   0.143959   0.079364  -0.125304  -0.030773   0.082874
     9  H   -0.049595  -0.424839   0.047901  -0.034600   0.518956  -0.682564
    10  H   -0.197916  -0.015957  -0.003343  -0.012123  -0.175776   0.307425
    11  C   -0.040992  -0.504925  -2.381841   0.214401  -1.282579  -1.213316
    12  H   -0.131721  -0.028500   0.330425  -0.179835   0.043386  -0.105376
    13  H    0.064116  -0.039581  -0.589439   0.496237  -0.386720   0.061480
    14  H   -0.088879   0.014122   0.070258  -0.288799   0.188850   0.071344
    15  H   -0.026072   0.055302   0.066003  -0.258160  -0.037367  -0.551261
    16  O    0.020250  -0.085231  -0.057989   0.165723  -2.179204   0.081985
    17  C   -0.020376  -0.088572   0.086501  -0.033882   0.506888  -2.608717
    18  C   -0.069760  -0.073359   0.155924   0.009383   0.296158  -0.433237
    19  C    0.036137   0.029497   0.144779  -0.081881  -0.064129  -0.084517
    20  H    0.000637  -0.021062  -0.008116   0.002787   0.037655   0.225661
    21  H   -0.003445  -0.000639   0.012234  -0.003257   0.045971   0.005114
    22  H    0.001802  -0.007506   0.013437  -0.005228  -0.067515   0.291098
    23  H   -0.017330  -0.078282  -0.017736  -0.000518   0.025996  -0.088919
    24  H   -0.033133   0.036138   0.103295  -0.011959  -0.001704   0.036036
    25  H    0.016831  -0.013134  -0.013386  -0.006551   0.043399  -0.194191
    26  H   -0.000264   0.005178  -0.075784  -0.003478   0.126066  -0.183845
    27  H   -0.000995  -0.004377  -0.024226   0.018865  -0.017274  -0.035096
    28  H   -0.006663  -0.001541   0.110998  -0.031594   0.006863   0.061425
    29  C    0.000931   0.000076  -0.019058   0.007994  -0.088515  -0.060811
    30  C    0.000249   0.000767  -0.001151   0.011364  -0.015516  -0.006084
    31  O   -0.000645  -0.004695   0.004603  -0.012608  -0.242782   0.056626
    32  H   -0.000090   0.002036  -0.000057  -0.000414   0.013370  -0.003651
    33  H   -0.000045   0.000096   0.000170  -0.001148   0.013103  -0.000768
    34  H   -0.000280  -0.000336  -0.000339  -0.000326   0.015210  -0.002151
               7          8          9         10         11         12
     1  C    0.351337  -0.031414  -0.049595  -0.197916  -0.040992  -0.131721
     2  C   -0.174479   0.143959  -0.424839  -0.015957  -0.504925  -0.028500
     3  C   -0.185642   0.079364   0.047901  -0.003343  -2.381841   0.330425
     4  C    0.063799  -0.125304  -0.034600  -0.012123   0.214401  -0.179835
     5  C    0.009223  -0.030773   0.518956  -0.175776  -1.282579   0.043386
     6  C   -0.175432   0.082874  -0.682564   0.307425  -1.213316  -0.105376
     7  H    2.781753  -1.124291   0.377340  -0.693435   0.026196  -0.154046
     8  H   -1.124291   2.382632  -0.508737   0.347032   0.028362   0.067872
     9  H    0.377340  -0.508737   3.587498  -1.646150   0.003560   0.005702
    10  H   -0.693435   0.347032  -1.646150   3.414139  -0.116660   0.005832
    11  C    0.026196   0.028362   0.003560  -0.116660  20.170478  -0.727419
    12  H   -0.154046   0.067872   0.005702   0.005832  -0.727419   2.311937
    13  H   -0.015979   0.026561  -0.008217   0.005540   0.418971  -0.276647
    14  H    0.018276  -0.040192   0.009324  -0.006307  -0.096288   0.126891
    15  H    0.008723  -0.010966   0.032761  -0.021360  -0.620008   0.022530
    16  O    0.019198  -0.020183  -0.265673   0.091185   0.460371  -0.028176
    17  C   -0.002363  -0.000659   0.208901  -0.147502  -0.316307   0.008836
    18  C   -0.014589  -0.004070   0.036073  -0.017794  -2.002103   0.134008
    19  C   -0.015544   0.002925   0.002476   0.000155  -1.552609   0.117196
    20  H    0.001316  -0.000655   0.063947  -0.063675   0.036476  -0.000197
    21  H   -0.001419   0.000533  -0.009476   0.053060  -0.099011   0.002246
    22  H   -0.000581   0.000175  -0.005645   0.010462  -0.172975   0.002419
    23  H    0.034624  -0.007619   0.022145  -0.041938   0.049588   0.001791
    24  H   -0.010067   0.003742  -0.001573   0.010183   0.000097   0.062285
    25  H    0.005859  -0.000271   0.006135  -0.014800   0.324847   0.000254
    26  H   -0.000967   0.002104   0.000820   0.001120   0.134113  -0.000324
    27  H   -0.000641   0.000117   0.000222  -0.000338   0.377715  -0.003944
    28  H   -0.000957  -0.001133   0.000095   0.000273  -0.099986   0.055717
    29  C    0.001201  -0.007642  -0.009390  -0.000203   0.053477  -0.002241
    30  C   -0.000024   0.000039  -0.005198   0.000389   0.001231  -0.000045
    31  O    0.000146   0.000296  -0.000267  -0.000010   0.005210  -0.000005
    32  H   -0.000003   0.000025  -0.001824   0.000150  -0.000060  -0.000001
    33  H    0.000000  -0.000008   0.000108  -0.000006  -0.000187   0.000000
    34  H    0.000031  -0.000394  -0.001402  -0.000124   0.000045  -0.000010
              13         14         15         16         17         18
     1  C    0.064116  -0.088879  -0.026072   0.020250  -0.020376  -0.069760
     2  C   -0.039581   0.014122   0.055302  -0.085231  -0.088572  -0.073359
     3  C   -0.589439   0.070258   0.066003  -0.057989   0.086501   0.155924
     4  C    0.496237  -0.288799  -0.258160   0.165723  -0.033882   0.009383
     5  C   -0.386720   0.188850  -0.037367  -2.179204   0.506888   0.296158
     6  C    0.061480   0.071344  -0.551261   0.081985  -2.608717  -0.433237
     7  H   -0.015979   0.018276   0.008723   0.019198  -0.002363  -0.014589
     8  H    0.026561  -0.040192  -0.010966  -0.020183  -0.000659  -0.004070
     9  H   -0.008217   0.009324   0.032761  -0.265673   0.208901   0.036073
    10  H    0.005540  -0.006307  -0.021360   0.091185  -0.147502  -0.017794
    11  C    0.418971  -0.096288  -0.620008   0.460371  -0.316307  -2.002103
    12  H   -0.276647   0.126891   0.022530  -0.028176   0.008836   0.134008
    13  H    3.442480  -1.231558  -0.804056   0.130581  -0.012325  -0.029024
    14  H   -1.231558   2.461335   0.336292  -0.211526   0.001593   0.007836
    15  H   -0.804056   0.336292   3.866879  -0.529790  -0.092927   0.025658
    16  O    0.130581  -0.211526  -0.529790  11.732877  -0.100484  -0.010436
    17  C   -0.012325   0.001593  -0.092927  -0.100484   6.318902   0.088017
    18  C   -0.029024   0.007836   0.025658  -0.010436   0.088017   6.386441
    19  C   -0.129450   0.008322   0.030125   0.004880   0.022272  -0.435795
    20  H    0.001238   0.000183  -0.033928  -0.091701   0.053221   0.000892
    21  H   -0.001507   0.000185   0.026313   0.031703   0.021779   0.010515
    22  H   -0.002175   0.000724   0.008877   0.001051   0.058334   0.025202
    23  H   -0.000549   0.001479   0.001898  -0.005946   0.032111   0.219236
    24  H   -0.001943  -0.000885   0.001251  -0.001740  -0.004708  -0.124173
    25  H   -0.001585   0.000155   0.003501  -0.002290   0.064881  -0.195065
    26  H    0.020500  -0.005708  -0.003403  -0.015690   0.013518   0.029542
    27  H    0.007134   0.000812  -0.040617  -0.006716   0.045442  -0.005011
    28  H   -0.013151   0.004028   0.017246  -0.002192  -0.001067   0.073426
    29  C    0.046704  -0.041026  -0.097183  -1.058462   0.001343  -0.000088
    30  C    0.000822  -0.002696   0.012618  -0.332308  -0.000295  -0.000006
    31  O   -0.008491  -0.021822  -0.090480   0.396241  -0.002440  -0.000445
    32  H   -0.000109   0.000181   0.006172  -0.062445  -0.000315  -0.000001
    33  H   -0.000218   0.000412   0.000249   0.081764   0.000073   0.000001
    34  H   -0.000210   0.000369   0.002582  -0.093439   0.000032  -0.000000
              19         20         21         22         23         24
     1  C    0.036137   0.000637  -0.003445   0.001802  -0.017330  -0.033133
     2  C    0.029497  -0.021062  -0.000639  -0.007506  -0.078282   0.036138
     3  C    0.144779  -0.008116   0.012234   0.013437  -0.017736   0.103295
     4  C   -0.081881   0.002787  -0.003257  -0.005228  -0.000518  -0.011959
     5  C   -0.064129   0.037655   0.045971  -0.067515   0.025996  -0.001704
     6  C   -0.084517   0.225661   0.005114   0.291098  -0.088919   0.036036
     7  H   -0.015544   0.001316  -0.001419  -0.000581   0.034624  -0.010067
     8  H    0.002925  -0.000655   0.000533   0.000175  -0.007619   0.003742
     9  H    0.002476   0.063947  -0.009476  -0.005645   0.022145  -0.001573
    10  H    0.000155  -0.063675   0.053060   0.010462  -0.041938   0.010183
    11  C   -1.552609   0.036476  -0.099011  -0.172975   0.049588   0.000097
    12  H    0.117196  -0.000197   0.002246   0.002419   0.001791   0.062285
    13  H   -0.129450   0.001238  -0.001507  -0.002175  -0.000549  -0.001943
    14  H    0.008322   0.000183   0.000185   0.000724   0.001479  -0.000885
    15  H    0.030125  -0.033928   0.026313   0.008877   0.001898   0.001251
    16  O    0.004880  -0.091701   0.031703   0.001051  -0.005946  -0.001740
    17  C    0.022272   0.053221   0.021779   0.058334   0.032111  -0.004708
    18  C   -0.435795   0.000892   0.010515   0.025202   0.219236  -0.124173
    19  C    6.086660  -0.003212   0.021266   0.009903   0.015151   0.042871
    20  H   -0.003212   0.847007  -0.130398  -0.091076  -0.000767  -0.000522
    21  H    0.021266  -0.130398   0.982862  -0.118346  -0.008769   0.005174
    22  H    0.009903  -0.091076  -0.118346   0.880478   0.002074  -0.000925
    23  H    0.015151  -0.000767  -0.008769   0.002074   1.271814  -0.213987
    24  H    0.042871  -0.000522   0.005174  -0.000925  -0.213987   1.079928
    25  H    0.037463   0.000691   0.021544  -0.002450  -0.170543  -0.088186
    26  H    0.180116   0.000335   0.002813   0.000525  -0.007016   0.013720
    27  H   -0.195807  -0.000223  -0.008146   0.015252   0.007199  -0.024737
    28  H   -0.119100  -0.000581  -0.001517   0.003846   0.017771   0.013170
    29  C   -0.000771  -0.003718   0.000822   0.001953   0.000018  -0.000098
    30  C   -0.000075  -0.000828   0.000002   0.000042  -0.000005   0.000001
    31  O    0.001803  -0.000933  -0.000237   0.001156  -0.000020  -0.000003
    32  H   -0.000014  -0.000557   0.000043   0.000153  -0.000000   0.000000
    33  H    0.000001   0.000057   0.000002  -0.000002   0.000000   0.000000
    34  H   -0.000007  -0.000163   0.000002  -0.000007   0.000000   0.000000
              25         26         27         28         29         30
     1  C    0.016831  -0.000264  -0.000995  -0.006663   0.000931   0.000249
     2  C   -0.013134   0.005178  -0.004377  -0.001541   0.000076   0.000767
     3  C   -0.013386  -0.075784  -0.024226   0.110998  -0.019058  -0.001151
     4  C   -0.006551  -0.003478   0.018865  -0.031594   0.007994   0.011364
     5  C    0.043399   0.126066  -0.017274   0.006863  -0.088515  -0.015516
     6  C   -0.194191  -0.183845  -0.035096   0.061425  -0.060811  -0.006084
     7  H    0.005859  -0.000967  -0.000641  -0.000957   0.001201  -0.000024
     8  H   -0.000271   0.002104   0.000117  -0.001133  -0.007642   0.000039
     9  H    0.006135   0.000820   0.000222   0.000095  -0.009390  -0.005198
    10  H   -0.014800   0.001120  -0.000338   0.000273  -0.000203   0.000389
    11  C    0.324847   0.134113   0.377715  -0.099986   0.053477   0.001231
    12  H    0.000254  -0.000324  -0.003944   0.055717  -0.002241  -0.000045
    13  H   -0.001585   0.020500   0.007134  -0.013151   0.046704   0.000822
    14  H    0.000155  -0.005708   0.000812   0.004028  -0.041026  -0.002696
    15  H    0.003501  -0.003403  -0.040617   0.017246  -0.097183   0.012618
    16  O   -0.002290  -0.015690  -0.006716  -0.002192  -1.058462  -0.332308
    17  C    0.064881   0.013518   0.045442  -0.001067   0.001343  -0.000295
    18  C   -0.195065   0.029542  -0.005011   0.073426  -0.000088  -0.000006
    19  C    0.037463   0.180116  -0.195807  -0.119100  -0.000771  -0.000075
    20  H    0.000691   0.000335  -0.000223  -0.000581  -0.003718  -0.000828
    21  H    0.021544   0.002813  -0.008146  -0.001517   0.000822   0.000002
    22  H   -0.002450   0.000525   0.015252   0.003846   0.001953   0.000042
    23  H   -0.170543  -0.007016   0.007199   0.017771   0.000018  -0.000005
    24  H   -0.088186   0.013720  -0.024737   0.013170  -0.000098   0.000001
    25  H    1.048658   0.008584   0.006783  -0.029377  -0.000064  -0.000001
    26  H    0.008584   1.245526  -0.139404  -0.220016  -0.005680  -0.000027
    27  H    0.006783  -0.139404   0.976056  -0.100023   0.000270  -0.000021
    28  H   -0.029377  -0.220016  -0.100023   1.079930  -0.000189   0.000001
    29  C   -0.000064  -0.005680   0.000270  -0.000189   6.122218   0.718808
    30  C   -0.000001  -0.000027  -0.000021   0.000001   0.718808   4.540947
    31  O   -0.000038  -0.002061  -0.000502   0.000091   0.374270  -0.102325
    32  H   -0.000000  -0.000013  -0.000002  -0.000000   0.096199   0.298897
    33  H    0.000000  -0.000003  -0.000000  -0.000000   0.101652   0.196894
    34  H    0.000000  -0.000006  -0.000000  -0.000000   0.140169   0.286171
              31         32         33         34
     1  C   -0.000645  -0.000090  -0.000045  -0.000280
     2  C   -0.004695   0.002036   0.000096  -0.000336
     3  C    0.004603  -0.000057   0.000170  -0.000339
     4  C   -0.012608  -0.000414  -0.001148  -0.000326
     5  C   -0.242782   0.013370   0.013103   0.015210
     6  C    0.056626  -0.003651  -0.000768  -0.002151
     7  H    0.000146  -0.000003   0.000000   0.000031
     8  H    0.000296   0.000025  -0.000008  -0.000394
     9  H   -0.000267  -0.001824   0.000108  -0.001402
    10  H   -0.000010   0.000150  -0.000006  -0.000124
    11  C    0.005210  -0.000060  -0.000187   0.000045
    12  H   -0.000005  -0.000001   0.000000  -0.000010
    13  H   -0.008491  -0.000109  -0.000218  -0.000210
    14  H   -0.021822   0.000181   0.000412   0.000369
    15  H   -0.090480   0.006172   0.000249   0.002582
    16  O    0.396241  -0.062445   0.081764  -0.093439
    17  C   -0.002440  -0.000315   0.000073   0.000032
    18  C   -0.000445  -0.000001   0.000001  -0.000000
    19  C    0.001803  -0.000014   0.000001  -0.000007
    20  H   -0.000933  -0.000557   0.000057  -0.000163
    21  H   -0.000237   0.000043   0.000002   0.000002
    22  H    0.001156   0.000153  -0.000002  -0.000007
    23  H   -0.000020  -0.000000   0.000000   0.000000
    24  H   -0.000003   0.000000   0.000000   0.000000
    25  H   -0.000038  -0.000000   0.000000   0.000000
    26  H   -0.002061  -0.000013  -0.000003  -0.000006
    27  H   -0.000502  -0.000002  -0.000000  -0.000000
    28  H    0.000091  -0.000000  -0.000000  -0.000000
    29  C    0.374270   0.096199   0.101652   0.140169
    30  C   -0.102325   0.298897   0.196894   0.286171
    31  O    7.886154  -0.012001   0.030811  -0.017557
    32  H   -0.012001   0.492191  -0.004558   0.040988
    33  H    0.030811  -0.004558   0.525641   0.006451
    34  H   -0.017557   0.040988   0.006451   0.484424
 Mulliken charges:
               1
     1  C    0.969412
     2  C    1.435896
     3  C    0.701805
     4  C    1.172206
     5  C    0.393917
     6  C   -4.204714
     7  H   -0.128562
     8  H   -0.254299
     9  H   -0.268814
    10  H   -0.071529
    11  C   -5.077873
    12  H   -0.660841
    13  H   -0.169429
    14  H   -0.287286
    15  H   -0.307404
    16  O   -0.056191
    17  C    1.900293
    18  C    1.916645
    19  C    1.888912
    20  H    0.180208
    21  H    0.141985
    22  H    0.145464
    23  H   -0.042951
    24  H    0.112453
    25  H    0.142348
    26  H   -0.120891
    27  H    0.152235
    28  H    0.184208
    29  C   -0.272967
    30  C    0.397364
    31  O   -0.237040
    32  H    0.135708
    33  H    0.049458
    34  H    0.140276
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.586551
     2  C    1.095552
     3  C    0.040963
     4  C    0.715491
     5  C    0.086513
     6  C   -4.204714
    11  C   -5.077873
    16  O   -0.056191
    17  C    2.367950
    18  C    2.128495
    19  C    2.104463
    29  C   -0.272967
    30  C    0.722807
    31  O   -0.237040
 Electronic spatial extent (au):  <R**2>=           2854.1693
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0786    Y=             -1.8393    Z=              0.1196  Tot=              2.1356
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -85.3458   YY=            -91.0158   ZZ=            -85.9396
   XY=             -8.6018   XZ=              0.6297   YZ=              0.3214
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.0879   YY=             -3.5821   ZZ=              1.4941
   XY=             -8.6018   XZ=              0.6297   YZ=              0.3214
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             34.5922  YYY=             -3.6710  ZZZ=              0.1066  XYY=             -7.3394
  XXY=            -28.8847  XXZ=              1.4745  XZZ=              8.5104  YZZ=              0.9889
  YYZ=              0.1569  XYZ=              2.2840
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2400.3303 YYYY=           -709.5803 ZZZZ=           -668.6806 XXXY=            -91.4914
 XXXZ=             18.0608 YYYX=            -13.9343 YYYZ=             -3.7663 ZZZX=             -2.0105
 ZZZY=              0.5718 XXYY=           -567.4828 XXZZ=           -517.1307 YYZZ=           -225.4960
 XXYZ=             -0.9071 YYXZ=              3.7089 ZZXY=             -3.8997
 N-N= 1.014917255427D+03 E-N=-3.465776066287D+03  KE= 6.114620976890D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 20:29:25 2021, MaxMem= 17179869184 cpu:               3.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.99881884D-01-6.82884299D-01 4.29922905D-02
 Polarizability= 1.58276184D+02-2.40980466D+00 1.33105099D+02
                -7.47736341D-01-3.61990215D-01 1.27567661D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3885    0.3887       -0.9266   -0.9208
 2     -0.3885   -0.3887        0.1993    0.1993      -12.4875  -12.4863
 3      0.9266    0.9208       15.3868   15.3811       -0.2005   -0.1993
 4     -0.1993   -0.1993        0.0000    0.0000        0.9206    0.9208
 5     -2.8994   -2.8949       -0.9206   -0.9208        0.3914    0.3887
 6      0.2005    0.1993       -0.3914   -0.3887       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.1661   -1.1661       -2.7623   -2.7623
 2     -0.5979   -0.5979        0.0000    0.0000       -2.7623   -2.7623
 3     -0.5979   -0.5979       -1.1661   -1.1661        0.0000    0.0000
 4     -1.1661   -1.1661        0.5979    0.5979      -37.4588  -37.4588
 5      2.7623    2.7623       46.1434   46.1434       -0.5979   -0.5979
 6     -8.6846   -8.6846       -2.7623   -2.7623        1.1661    1.1661
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2928    0.0000       -1.1413   -1.5549        4.4384    3.6831
 2      1.4772    1.5549       -1.1231   -0.7972       49.8848   49.9450
 3     -4.1810   -3.6831      -60.9579  -61.5245        1.3360    0.7972
 4      1.0737    0.7972        0.0155    0.0000       -4.0330   -3.6831
 5     11.6700   11.5795        3.8440    3.6831       -1.5802   -1.5549
 6     -0.8816   -0.7972        1.4980    1.5549        0.0578    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0141    0.0000        1.6631    1.6110       -1.3763   -0.8787
 2     -0.8753   -1.6110      -27.2244  -25.7515        8.3701    8.0885
 3      0.6313    0.8787        8.8184    7.6543       24.8386   25.7515
 4     25.8976   25.7515        0.3924    0.0000        1.5521    0.8787
 5    -15.3973  -15.7428        0.0136   -0.8787        0.9653    1.6110
 6    -25.8793  -25.7515       -2.0029   -1.6110       -0.2423    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.3176    8.5761      -23.4091  -23.0886        5.3775    5.4394
 2     49.5801   49.7865      -15.3446  -15.5365        5.5209    5.4394
 3     49.5259   49.7865      -22.8226  -23.0886       11.3016   10.7446
 4     -6.9067   -7.5521      -42.6698  -41.2104       18.0801   17.3732
 5      5.4348    5.3052       12.0549   11.5443       40.5772   41.2104
 6    -29.2109  -28.9175       -4.0924   -5.3052        7.4935    7.5521
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.7112   -3.4433   -0.0003    0.0004    0.0007    8.6356
 Low frequencies ---   40.5012   50.2144   73.1277
 Diagonal vibrational polarizability:
       23.6480820       5.0507442      43.4344238
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     40.4956                50.1465                73.1139
 Red. masses --      1.2950                 4.3860                 2.4626
 Frc consts  --      0.0013                 0.0065                 0.0078
 IR Inten    --      1.9027                 0.3207                 1.2786
 RamAct Fr= 1--      0.4296                 0.7557                 0.1488
  Dep-P Fr= 1--      0.7495                 0.7303                 0.7289
  Dep-U Fr= 1--      0.8568                 0.8442                 0.8432
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0001
 Beta2  Fr= 1--      0.0613                 0.1063                 0.0209
 AlphaG Fr= 1--     -0.0001                 0.0012                 0.0005
 Gamma2 Fr= 1--      0.0172                -0.0188                 0.0171
 Delta2 Fr= 1--      0.0103                 0.0298                -0.0183
 Raman1 Fr= 1--       1.718                  3.023                  0.595
 ROA1   Fr= 1--       1.983                 -0.854                  1.055
 CID1   Fr= 1--       1.154                 -0.283                  1.774
 Raman2 Fr= 1--       0.736                  1.276                  0.251
 ROA2   Fr= 1--       0.331                 -0.691                  0.557
 CID2   Fr= 1--       0.449                 -0.541                  2.220
 Raman3 Fr= 1--       1.472                  2.552                  0.502
 ROA3   Fr= 1--       1.983                 -0.854                  1.055
 CID3   Fr= 1--       1.347                 -0.335                  2.103
 RC180  Fr= 1--       0.714                  0.688                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.02    -0.15  -0.04  -0.01     0.10  -0.02   0.03
     2   6     0.00   0.00  -0.02    -0.04  -0.02  -0.04     0.03   0.01   0.06
     3   6     0.00   0.02   0.01    -0.10  -0.03  -0.03     0.01  -0.02  -0.00
     4   6     0.00   0.01   0.01    -0.07  -0.06  -0.13    -0.02   0.06   0.02
     5   6     0.00  -0.00   0.01     0.00  -0.02  -0.14    -0.00   0.04   0.01
     6   6    -0.00  -0.01  -0.00     0.03  -0.01  -0.06     0.00   0.04   0.02
     7   1    -0.00   0.03  -0.02    -0.18  -0.02   0.09     0.14  -0.07  -0.03
     8   1    -0.00   0.03  -0.02    -0.22  -0.07  -0.07     0.16   0.01   0.07
     9   1     0.00   0.01  -0.03    -0.04  -0.02  -0.11     0.03   0.00   0.11
    10   1     0.00  -0.00  -0.03    -0.00  -0.01   0.03     0.01   0.04   0.05
    11   6     0.00   0.00   0.01     0.01   0.01   0.01    -0.02  -0.01  -0.01
    12   1     0.00   0.03   0.01    -0.13  -0.03   0.01    -0.00  -0.06  -0.02
    13   1     0.01   0.02   0.03    -0.05  -0.07  -0.18    -0.10   0.07   0.06
    14   1     0.00   0.02   0.01    -0.13  -0.11  -0.15     0.01   0.13   0.01
    15   1    -0.00  -0.01   0.02     0.03  -0.00  -0.18     0.03   0.03   0.02
    16   8     0.00  -0.00   0.01     0.01  -0.01  -0.18    -0.02   0.01  -0.06
    17   6    -0.00  -0.03  -0.01     0.13   0.01  -0.06    -0.01   0.09   0.03
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.12    -0.00  -0.06  -0.04
    19   6     0.00  -0.01   0.03     0.07   0.02  -0.02    -0.08  -0.01  -0.03
    20   1    -0.00  -0.04  -0.02     0.15   0.00  -0.11     0.01   0.13   0.06
    21   1    -0.00  -0.04  -0.02     0.15   0.03   0.01     0.01   0.07   0.04
    22   1    -0.00  -0.04   0.01     0.18   0.02  -0.07    -0.04   0.11  -0.00
    23   1     0.00   0.00  -0.01    -0.02   0.02   0.19     0.02  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.02   0.01   0.14    -0.02  -0.04  -0.00
    25   1    -0.00  -0.01  -0.00     0.08   0.09   0.14     0.00  -0.13  -0.04
    26   1     0.00  -0.00   0.03     0.05   0.01  -0.14    -0.06  -0.02   0.09
    27   1     0.01  -0.02   0.03     0.19   0.05   0.01    -0.21  -0.02  -0.06
    28   1    -0.00  -0.00   0.04     0.01   0.00   0.06    -0.02  -0.01  -0.12
    29   6    -0.00  -0.00  -0.02     0.02   0.02   0.08     0.00  -0.03  -0.01
    30   6     0.00   0.01   0.09     0.02   0.03   0.13    -0.04  -0.09  -0.17
    31   8    -0.01  -0.01  -0.10     0.03   0.04   0.27     0.06  -0.01   0.16
    32   1     0.24   0.45   0.38     0.10   0.22   0.25     0.20   0.14  -0.01
    33   1    -0.01  -0.03  -0.39     0.02   0.02  -0.03    -0.03  -0.17  -0.56
    34   1    -0.22  -0.39   0.45    -0.05  -0.14   0.29    -0.35  -0.29   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.9674               148.6003               195.9384
 Red. masses --      2.9928                 1.6114                 1.5228
 Frc consts  --      0.0166                 0.0210                 0.0344
 IR Inten    --      1.5086                 1.5029                 0.4664
 RamAct Fr= 1--      0.1481                 0.0512                 0.2432
  Dep-P Fr= 1--      0.6314                 0.3936                 0.7486
  Dep-U Fr= 1--      0.7741                 0.5649                 0.8562
 Alpha2 Fr= 1--      0.0003                 0.0004                 0.0000
 Beta2  Fr= 1--      0.0191                 0.0048                 0.0347
 AlphaG Fr= 1--      0.0001                 0.0002                 0.0002
 Gamma2 Fr= 1--      0.0140                -0.0601                -0.0489
 Delta2 Fr= 1--      0.0402                 0.0257                -0.0343
 Raman1 Fr= 1--       0.592                  0.205                  0.973
 ROA1   Fr= 1--       2.626                 -4.943                 -5.793
 CID1   Fr= 1--       4.433                -24.141                 -5.955
 Raman2 Fr= 1--       0.229                  0.058                  0.416
 ROA2   Fr= 1--       0.013                 -1.648                 -0.899
 CID2   Fr= 1--       0.057                -28.488                 -2.159
 Raman3 Fr= 1--       0.459                  0.116                  0.833
 ROA3   Fr= 1--       2.626                 -4.943                 -5.793
 CID3   Fr= 1--       5.727                -42.734                 -6.955
 RC180  Fr= 1--       0.548                  0.130                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.01    -0.06   0.01  -0.01    -0.03  -0.00  -0.03
     2   6     0.06   0.04  -0.01     0.06   0.02  -0.04     0.02   0.01  -0.04
     3   6    -0.05   0.02   0.00    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
     4   6    -0.07   0.10  -0.02     0.01  -0.03  -0.01     0.01  -0.03  -0.01
     5   6    -0.01   0.08  -0.05    -0.01   0.05   0.02    -0.01   0.02   0.02
     6   6     0.02   0.04  -0.01     0.00   0.02  -0.01    -0.00  -0.00  -0.01
     7   1     0.07  -0.02  -0.03    -0.10   0.03   0.09    -0.04  -0.00   0.00
     8   1     0.07   0.08  -0.00    -0.14  -0.02  -0.07    -0.06  -0.00  -0.05
     9   1     0.07   0.06  -0.01     0.10   0.11  -0.10     0.03   0.03  -0.06
    10   1     0.07   0.03  -0.01     0.15  -0.05  -0.02     0.04  -0.02  -0.03
    11   6    -0.03  -0.02   0.02    -0.01  -0.00  -0.00    -0.00   0.00  -0.01
    12   1    -0.09  -0.01   0.02    -0.00   0.03   0.00     0.00   0.01  -0.01
    13   1    -0.14   0.11   0.02     0.05  -0.04  -0.09     0.03  -0.04  -0.06
    14   1    -0.07   0.17  -0.06     0.00  -0.10   0.02     0.00  -0.08   0.02
    15   1     0.02   0.07  -0.04    -0.06   0.08  -0.00    -0.06   0.04   0.00
    16   8    -0.03   0.04  -0.07    -0.00   0.07   0.09    -0.00   0.04   0.09
    17   6     0.09   0.06  -0.01    -0.02  -0.04  -0.02     0.00  -0.06  -0.02
    18   6     0.01  -0.11   0.03     0.01  -0.04   0.03     0.02  -0.00   0.10
    19   6    -0.11  -0.04   0.04    -0.03   0.00  -0.03     0.00   0.03  -0.08
    20   1     0.13   0.11  -0.04    -0.02  -0.04  -0.02     0.13   0.14  -0.02
    21   1     0.13   0.00   0.02    -0.02  -0.06  -0.06     0.13  -0.28  -0.07
    22   1     0.05   0.06  -0.02    -0.04  -0.06   0.02    -0.24  -0.07   0.02
    23   1     0.05  -0.09  -0.06     0.13  -0.14   0.37    -0.09   0.09  -0.21
    24   1    -0.04  -0.10   0.11     0.04  -0.28  -0.23    -0.10   0.20   0.44
    25   1     0.05  -0.21   0.05    -0.11   0.28  -0.02     0.27  -0.31   0.19
    26   1    -0.12  -0.01   0.11    -0.14   0.11  -0.34     0.07  -0.04   0.07
    27   1    -0.17  -0.07   0.03     0.28   0.02   0.04    -0.22   0.11  -0.14
    28   1    -0.10  -0.05   0.01    -0.26  -0.12   0.18     0.15   0.06  -0.28
    29   6     0.02  -0.04  -0.01     0.02   0.01   0.02     0.00   0.02   0.03
    30   6    -0.06  -0.13   0.19    -0.04  -0.06  -0.04    -0.03  -0.02  -0.02
    31   8     0.11  -0.06  -0.09     0.08   0.01   0.00     0.03   0.01  -0.00
    32   1    -0.35  -0.25   0.10    -0.01  -0.05  -0.03    -0.01  -0.03  -0.02
    33   1    -0.00  -0.19   0.50    -0.00  -0.13  -0.12    -0.01  -0.06  -0.07
    34   1     0.11  -0.01   0.07    -0.15  -0.07  -0.03    -0.10  -0.02  -0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.6226               223.4060               235.2566
 Red. masses --      1.2783                 1.2787                 2.3707
 Frc consts  --      0.0363                 0.0376                 0.0773
 IR Inten    --      0.1986                 1.7709                 0.5074
 RamAct Fr= 1--      0.3706                 0.2653                 0.3186
  Dep-P Fr= 1--      0.2502                 0.1787                 0.6051
  Dep-U Fr= 1--      0.4003                 0.3033                 0.7539
 Alpha2 Fr= 1--      0.0044                 0.0038                 0.0009
 Beta2  Fr= 1--      0.0247                 0.0134                 0.0400
 AlphaG Fr= 1--     -0.0009                -0.0048                 0.0020
 Gamma2 Fr= 1--     -0.0232                -0.0440                 0.1773
 Delta2 Fr= 1--      0.1224                 0.0438                -0.0696
 Raman1 Fr= 1--       1.482                  1.061                  1.274
 ROA1   Fr= 1--       1.687                 -2.818                 14.789
 CID1   Fr= 1--       1.138                 -2.656                 11.605
 Raman2 Fr= 1--       0.297                  0.161                  0.480
 ROA2   Fr= 1--      -1.536                 -1.406                  4.811
 CID2   Fr= 1--      -5.178                 -8.736                 10.016
 Raman3 Fr= 1--       0.593                  0.322                  0.961
 ROA3   Fr= 1--       1.687                 -2.818                 14.789
 CID3   Fr= 1--       2.844                 -8.758                 15.393
 RC180  Fr= 1--      -0.199                 -0.393                  0.508
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.01    -0.04  -0.01   0.01    -0.04   0.01   0.00
     2   6    -0.01  -0.01   0.01    -0.02  -0.00   0.00    -0.01   0.01  -0.00
     3   6     0.01  -0.01  -0.03    -0.02  -0.01  -0.00     0.01   0.01   0.00
     4   6     0.01  -0.01  -0.03    -0.01  -0.03  -0.02     0.03  -0.03  -0.02
     5   6    -0.02   0.01  -0.01     0.00   0.01  -0.00    -0.02   0.01  -0.00
     6   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.01   0.00  -0.00
     7   1     0.08  -0.04  -0.07    -0.05  -0.01   0.02    -0.06   0.03   0.03
     8   1     0.11   0.00   0.03    -0.06  -0.03  -0.00    -0.07  -0.02  -0.01
     9   1    -0.03  -0.04   0.06    -0.02   0.00  -0.01    -0.01   0.00  -0.03
    10   1    -0.06   0.04   0.01    -0.01   0.00   0.02    -0.00   0.01   0.01
    11   6     0.00  -0.00  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.01
    12   1     0.02  -0.03  -0.04    -0.01  -0.00  -0.00     0.01   0.03   0.02
    13   1     0.03  -0.01  -0.05     0.00  -0.03  -0.05     0.07  -0.04  -0.06
    14   1     0.02  -0.04  -0.01    -0.02  -0.06  -0.01     0.02  -0.09  -0.00
    15   1    -0.05   0.03  -0.02    -0.03   0.03  -0.02    -0.05   0.03  -0.02
    16   8    -0.03   0.01   0.04     0.03   0.05   0.03    -0.04   0.01   0.11
    17   6     0.04   0.03  -0.01    -0.03  -0.02  -0.01     0.26  -0.01  -0.01
    18   6     0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.03   0.02  -0.12
    19   6     0.04  -0.02   0.05    -0.03  -0.01   0.02    -0.03  -0.00   0.02
    20   1     0.04  -0.00  -0.05    -0.31  -0.47  -0.06     0.32  -0.03  -0.21
    21   1     0.04   0.07   0.05    -0.30   0.43   0.04     0.32   0.01   0.18
    22   1     0.12   0.04  -0.02     0.48  -0.04   0.00     0.41  -0.01  -0.01
    23   1    -0.09   0.09  -0.31    -0.05   0.03  -0.16     0.01  -0.01  -0.03
    24   1    -0.04   0.21   0.23    -0.03   0.09   0.10     0.06  -0.03  -0.28
    25   1     0.14  -0.28   0.04     0.04  -0.15   0.01    -0.18   0.11  -0.16
    26   1    -0.07   0.08  -0.30     0.01  -0.04   0.13     0.04  -0.06   0.26
    27   1     0.47  -0.09   0.15    -0.14  -0.03  -0.01    -0.29  -0.02  -0.05
    28   1    -0.23  -0.09   0.39     0.05   0.03  -0.06     0.14   0.07  -0.17
    29   6    -0.03   0.01   0.02     0.04   0.03   0.01    -0.05   0.00   0.04
    30   6    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.06  -0.02  -0.02
    31   8    -0.03   0.00   0.00     0.08   0.02  -0.01    -0.06  -0.00   0.00
    32   1    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.03  -0.03  -0.03
    33   1    -0.04  -0.04  -0.03     0.03  -0.04  -0.02    -0.05  -0.04  -0.07
    34   1    -0.09  -0.01  -0.01    -0.02  -0.00  -0.01    -0.13  -0.00  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    238.8776               243.1688               269.2593
 Red. masses --      2.2718                 2.9298                 2.3808
 Frc consts  --      0.0764                 0.1021                 0.1017
 IR Inten    --      1.8389                 1.3385                 0.3496
 RamAct Fr= 1--      0.8308                 0.4274                 1.8200
  Dep-P Fr= 1--      0.2498                 0.7486                 0.1984
  Dep-U Fr= 1--      0.3997                 0.8562                 0.3311
 Alpha2 Fr= 1--      0.0099                 0.0000                 0.0248
 Beta2  Fr= 1--      0.0553                 0.0610                 0.1004
 AlphaG Fr= 1--     -0.0111                -0.0001                 0.0139
 Gamma2 Fr= 1--     -0.2698                -0.0725                 0.1940
 Delta2 Fr= 1--     -0.1537                 0.0018                 0.0246
 Raman1 Fr= 1--       3.323                  1.710                  7.280
 ROA1   Fr= 1--     -30.816                 -6.900                 19.408
 CID1   Fr= 1--      -9.273                 -4.035                  2.666
 Raman2 Fr= 1--       0.664                  0.732                  1.205
 ROA2   Fr= 1--      -5.245                 -1.753                  4.458
 CID2   Fr= 1--      -7.898                 -2.395                  3.699
 Raman3 Fr= 1--       1.328                  1.464                  2.410
 ROA3   Fr= 1--     -30.816                 -6.900                 19.408
 CID3   Fr= 1--     -23.199                 -4.713                  8.052
 RC180  Fr= 1--      -0.201                  0.712                 -0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03   0.03    -0.11   0.08  -0.04    -0.00  -0.01  -0.03
     2   6    -0.04  -0.02   0.02    -0.05   0.04  -0.05     0.12  -0.00  -0.06
     3   6    -0.03  -0.02   0.00     0.01   0.08  -0.01     0.00  -0.01  -0.03
     4   6    -0.01  -0.06  -0.04     0.07  -0.05  -0.01     0.01  -0.02  -0.05
     5   6     0.00  -0.00  -0.02     0.04  -0.04  -0.01    -0.01   0.01  -0.02
     6   6    -0.02  -0.02  -0.00     0.00   0.03  -0.02     0.02  -0.00  -0.04
     7   1    -0.11  -0.00   0.07    -0.16   0.15   0.02    -0.03  -0.01   0.07
     8   1    -0.13  -0.07   0.00    -0.18   0.03  -0.08    -0.08  -0.01  -0.09
     9   1    -0.05  -0.04  -0.01    -0.05   0.05  -0.12     0.18   0.12  -0.13
    10   1    -0.04  -0.01   0.05    -0.02   0.02  -0.04     0.23  -0.11  -0.05
    11   6    -0.02  -0.01   0.00    -0.01   0.02  -0.01     0.04  -0.02  -0.01
    12   1    -0.03  -0.01   0.00     0.05   0.15   0.01    -0.01  -0.01  -0.01
    13   1     0.02  -0.07  -0.09     0.18  -0.05  -0.03     0.02  -0.02  -0.07
    14   1    -0.03  -0.12  -0.02     0.02  -0.13  -0.02     0.01  -0.05  -0.03
    15   1    -0.04   0.03  -0.05     0.05  -0.03  -0.03    -0.01   0.03  -0.04
    16   8     0.05   0.06   0.01     0.04  -0.09   0.07    -0.04   0.01   0.03
    17   6    -0.04   0.04   0.01     0.00   0.17  -0.00    -0.09   0.13  -0.02
    18   6    -0.07   0.04  -0.13     0.06  -0.14   0.02     0.06  -0.03   0.04
    19   6     0.01  -0.06   0.14    -0.15  -0.01   0.03     0.14  -0.06   0.12
    20   1     0.15   0.38   0.11     0.01   0.23   0.08    -0.16   0.09   0.13
    21   1     0.14  -0.27  -0.04     0.01   0.20   0.07    -0.16   0.24  -0.03
    22   1    -0.44   0.07  -0.03    -0.02   0.25  -0.13    -0.06   0.19  -0.13
    23   1    -0.12   0.07  -0.24     0.12  -0.10  -0.09     0.10  -0.06   0.15
    24   1     0.02   0.15  -0.15    -0.05  -0.14   0.16     0.04  -0.11  -0.01
    25   1    -0.15  -0.05  -0.15     0.16  -0.29   0.06     0.06   0.06   0.03
    26   1     0.04  -0.08   0.24    -0.21   0.08  -0.01     0.25  -0.18   0.39
    27   1    -0.01  -0.19   0.14    -0.11  -0.05   0.04    -0.08  -0.16   0.06
    28   1     0.05   0.03   0.20    -0.23  -0.09   0.07     0.33   0.13   0.02
    29   6     0.07   0.04  -0.00     0.02  -0.07   0.03    -0.06   0.01   0.02
    30   6     0.04  -0.00  -0.01     0.12   0.04  -0.02    -0.10  -0.03  -0.00
    31   8     0.13   0.03  -0.01    -0.05  -0.06   0.01    -0.08   0.01   0.01
    32   1     0.03  -0.00  -0.01     0.25   0.03  -0.03    -0.12  -0.03  -0.00
    33   1     0.06  -0.03  -0.02     0.05   0.16  -0.07    -0.07  -0.09  -0.01
    34   1     0.01   0.00  -0.01     0.17   0.04  -0.03    -0.16  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    332.2799               349.7798               364.8409
 Red. masses --      2.1932                 2.8499                 2.3566
 Frc consts  --      0.1427                 0.2054                 0.1848
 IR Inten    --      1.6606                 0.9421                 0.6162
 RamAct Fr= 1--      0.2392                 1.7430                 0.2070
  Dep-P Fr= 1--      0.2297                 0.2539                 0.7197
  Dep-U Fr= 1--      0.3736                 0.4049                 0.8370
 Alpha2 Fr= 1--      0.0030                 0.0204                 0.0001
 Beta2  Fr= 1--      0.0149                 0.1176                 0.0289
 AlphaG Fr= 1--      0.0115                -0.0055                 0.0007
 Gamma2 Fr= 1--     -0.1620                 0.3386                -0.1653
 Delta2 Fr= 1--     -0.0170                 0.1725                -0.1654
 Raman1 Fr= 1--       0.957                  6.972                  0.828
 ROA1   Fr= 1--     -16.094                 38.028                -21.161
 CID1   Fr= 1--     -16.820                  5.454                -25.552
 Raman2 Fr= 1--       0.179                  1.412                  0.347
 ROA2   Fr= 1--      -3.751                  6.746                 -2.645
 CID2   Fr= 1--     -20.987                  4.779                 -7.630
 Raman3 Fr= 1--       0.357                  2.823                  0.693
 ROA3   Fr= 1--     -16.094                 38.028                -21.161
 CID3   Fr= 1--     -45.026                 13.470                -30.527
 RC180  Fr= 1--      -0.253                 -0.190                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.09     0.05  -0.03  -0.03    -0.09   0.04  -0.02
     2   6     0.17   0.07   0.03     0.16   0.00  -0.06     0.03  -0.06  -0.08
     3   6     0.00   0.00   0.03    -0.08  -0.04  -0.01     0.00   0.01   0.06
     4   6     0.02  -0.04  -0.02    -0.11   0.05   0.01    -0.01   0.03   0.13
     5   6     0.03   0.04   0.00    -0.03   0.02  -0.00    -0.01  -0.05   0.08
     6   6     0.03   0.07   0.04    -0.02  -0.00  -0.02     0.00  -0.10   0.03
     7   1    -0.14   0.01   0.30     0.08  -0.13   0.02    -0.16   0.12   0.07
     8   1    -0.24  -0.09  -0.03     0.03   0.06  -0.08    -0.21   0.01  -0.12
     9   1     0.26   0.27  -0.08     0.25   0.18  -0.10     0.08   0.03  -0.21
    10   1     0.36  -0.09   0.10     0.29  -0.14  -0.08     0.13  -0.18  -0.11
    11   6     0.02   0.04   0.02    -0.07  -0.03  -0.01     0.00  -0.06   0.03
    12   1     0.00  -0.01   0.02    -0.10  -0.08  -0.02     0.01   0.09   0.11
    13   1     0.05  -0.05  -0.10    -0.21   0.06   0.08    -0.04   0.03   0.18
    14   1     0.00  -0.12   0.01    -0.09   0.17  -0.05     0.01   0.10   0.11
    15   1     0.11   0.05  -0.04    -0.02   0.02  -0.00    -0.02  -0.11   0.16
    16   8    -0.02  -0.04  -0.08    -0.01  -0.03   0.09     0.02   0.01  -0.05
    17   6    -0.03  -0.08   0.02     0.03   0.05  -0.02     0.03   0.09   0.08
    18   6     0.02   0.01  -0.11    -0.15   0.12   0.03    -0.03  -0.02  -0.07
    19   6    -0.04   0.05   0.00     0.01  -0.02  -0.01     0.07  -0.02  -0.12
    20   1    -0.05  -0.14  -0.01     0.02   0.03  -0.04     0.03   0.13   0.16
    21   1    -0.05  -0.13  -0.11     0.02   0.10   0.06     0.03   0.20   0.23
    22   1    -0.06  -0.16   0.16     0.11   0.08  -0.08     0.09   0.21  -0.12
    23   1     0.01   0.08  -0.36    -0.29   0.12   0.02    -0.08   0.03  -0.21
    24   1     0.03   0.16   0.01    -0.09   0.23   0.05     0.02   0.11  -0.02
    25   1     0.00  -0.25  -0.10    -0.12   0.16   0.04    -0.07  -0.15  -0.07
    26   1    -0.07   0.09  -0.05     0.01  -0.05  -0.04     0.06  -0.05  -0.32
    27   1     0.01   0.05   0.02     0.06  -0.02   0.01     0.19   0.17  -0.10
    28   1    -0.09  -0.00   0.03    -0.01   0.01   0.04     0.03  -0.09  -0.13
    29   6    -0.03  -0.03  -0.03     0.02  -0.08   0.05     0.01   0.04  -0.03
    30   6    -0.01   0.00   0.01     0.14   0.04  -0.02    -0.05  -0.02   0.01
    31   8    -0.07  -0.03   0.02     0.02  -0.09   0.00     0.02   0.04  -0.00
    32   1    -0.02   0.02   0.02     0.33   0.01  -0.03    -0.14  -0.00   0.02
    33   1    -0.02   0.03   0.04     0.03   0.23  -0.08     0.00  -0.10   0.05
    34   1     0.05  -0.01   0.02     0.23   0.06  -0.04    -0.07  -0.03   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    404.1479               432.5107               475.9392
 Red. masses --      2.5491                 2.0021                 2.6144
 Frc consts  --      0.2453                 0.2207                 0.3489
 IR Inten    --      0.3012                 0.1368                 1.1013
 RamAct Fr= 1--      0.8654                 0.2137                 1.1514
  Dep-P Fr= 1--      0.3849                 0.4172                 0.7423
  Dep-U Fr= 1--      0.5558                 0.5888                 0.8521
 Alpha2 Fr= 1--      0.0068                 0.0015                 0.0002
 Beta2  Fr= 1--      0.0802                 0.0210                 0.1635
 AlphaG Fr= 1--     -0.0053                 0.0017                -0.0023
 Gamma2 Fr= 1--      0.0681                -0.0631                -0.0867
 Delta2 Fr= 1--      0.2690                -0.1062                -0.5053
 Raman1 Fr= 1--       3.462                  0.855                  4.606
 ROA1   Fr= 1--      15.149                 -9.451                -24.489
 CID1   Fr= 1--       4.376                -11.058                 -5.317
 Raman2 Fr= 1--       0.962                  0.252                  1.962
 ROA2   Fr= 1--      -0.517                 -0.664                  1.963
 CID2   Fr= 1--      -0.537                 -2.638                  1.000
 Raman3 Fr= 1--       1.924                  0.503                  3.924
 ROA3   Fr= 1--      15.149                 -9.451                -24.489
 CID3   Fr= 1--       7.873                -18.781                 -6.241
 RC180  Fr= 1--       0.112                  0.178                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.03    -0.11  -0.09   0.05     0.00   0.01  -0.01
     2   6    -0.07   0.04   0.04    -0.03  -0.04   0.03    -0.00   0.07   0.02
     3   6    -0.08   0.01   0.01     0.08  -0.05  -0.07     0.08   0.01  -0.07
     4   6    -0.10   0.08  -0.02     0.01   0.14   0.06     0.11  -0.05   0.08
     5   6    -0.03   0.05  -0.01     0.02   0.03   0.03    -0.05   0.06   0.09
     6   6    -0.01   0.05   0.01     0.01   0.01  -0.05    -0.11   0.06   0.02
     7   1    -0.03  -0.02  -0.01    -0.25   0.09   0.24    -0.06   0.08   0.07
     8   1    -0.02   0.02   0.06    -0.28  -0.32  -0.03    -0.06  -0.12  -0.02
     9   1    -0.09  -0.01   0.05    -0.04  -0.04  -0.01     0.03   0.14   0.05
    10   1    -0.09   0.09   0.08    -0.01  -0.00   0.14     0.04   0.01   0.00
    11   6    -0.01   0.01   0.01     0.04   0.00  -0.09    -0.10  -0.01  -0.09
    12   1    -0.13  -0.01   0.05     0.12  -0.08  -0.13     0.21   0.03  -0.16
    13   1    -0.18   0.08   0.03    -0.27   0.17   0.26     0.24  -0.07  -0.12
    14   1    -0.10   0.16  -0.06     0.16   0.46   0.01     0.17  -0.26   0.25
    15   1    -0.01   0.06  -0.03     0.00  -0.02   0.10     0.01   0.01   0.13
    16   8    -0.04   0.01   0.06    -0.00   0.00   0.02    -0.07   0.02  -0.09
    17   6    -0.01  -0.02  -0.00     0.01  -0.00  -0.07     0.03  -0.00   0.01
    18   6     0.07  -0.16  -0.09     0.05   0.04   0.01    -0.10  -0.07   0.05
    19   6     0.19   0.03  -0.05    -0.02  -0.04   0.01     0.06  -0.06   0.00
    20   1    -0.00  -0.04  -0.05     0.02  -0.00  -0.10     0.09  -0.01  -0.19
    21   1    -0.00  -0.06  -0.04     0.02  -0.02  -0.07     0.10  -0.04   0.13
    22   1    -0.01  -0.07   0.07     0.01  -0.02  -0.04     0.13  -0.04   0.07
    23   1     0.28  -0.15  -0.16    -0.02   0.03   0.06    -0.08  -0.10   0.15
    24   1     0.02  -0.27  -0.13     0.01   0.05   0.08    -0.22  -0.15   0.12
    25   1    -0.04  -0.30  -0.11     0.17   0.08   0.04     0.05  -0.00   0.09
    26   1     0.28  -0.14  -0.13    -0.07   0.05   0.08     0.17  -0.22   0.05
    27   1     0.26   0.14  -0.03    -0.02  -0.18   0.01     0.10  -0.13   0.01
    28   1     0.27   0.15  -0.04    -0.07  -0.04   0.08     0.16   0.16   0.08
    29   6    -0.01  -0.05   0.04    -0.00  -0.01   0.01    -0.04  -0.03  -0.07
    30   6     0.07   0.03  -0.01     0.00  -0.00  -0.00     0.01   0.05   0.00
    31   8     0.03  -0.05  -0.00    -0.01  -0.01  -0.00     0.07  -0.03   0.02
    32   1     0.20   0.01  -0.02     0.02  -0.01  -0.00     0.02   0.10   0.03
    33   1    -0.01   0.16  -0.05    -0.00   0.01  -0.01    -0.06   0.18   0.06
    34   1     0.12   0.05  -0.03    -0.00   0.01  -0.01     0.19  -0.00   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    515.3474               527.4292               583.7146
 Red. masses --      3.1022                 3.0514                 4.0219
 Frc consts  --      0.4854                 0.5001                 0.8074
 IR Inten    --      2.7768                 2.1562                 1.2722
 RamAct Fr= 1--      1.5846                 2.5333                 2.0981
  Dep-P Fr= 1--      0.5543                 0.1702                 0.5257
  Dep-U Fr= 1--      0.7132                 0.2909                 0.6891
 Alpha2 Fr= 1--      0.0059                 0.0372                 0.0091
 Beta2  Fr= 1--      0.1884                 0.1228                 0.2410
 AlphaG Fr= 1--     -0.0006                 0.0163                 0.0108
 Gamma2 Fr= 1--     -0.0544                -0.1009                 0.2311
 Delta2 Fr= 1--      0.1525                -0.1251                 0.0366
 Raman1 Fr= 1--       6.339                 10.133                  8.392
 ROA1   Fr= 1--      -0.347                -13.686                 23.354
 CID1   Fr= 1--      -0.055                 -1.351                  2.783
 Raman2 Fr= 1--       2.260                  1.474                  2.892
 ROA2   Fr= 1--      -2.527                 -1.420                  5.254
 CID2   Fr= 1--      -1.118                 -0.964                  1.817
 Raman3 Fr= 1--       4.521                  2.948                  5.783
 ROA3   Fr= 1--      -0.347                -13.686                 23.354
 CID3   Fr= 1--      -0.077                 -4.642                  4.038
 RC180  Fr= 1--       0.426                 -0.418                  0.378
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08  -0.04     0.02  -0.02   0.03     0.06   0.08   0.21
     2   6     0.02  -0.09  -0.05     0.03   0.04   0.03     0.05  -0.15   0.10
     3   6    -0.01  -0.05  -0.03    -0.04  -0.00  -0.03     0.08   0.14   0.08
     4   6    -0.05  -0.06   0.05    -0.02  -0.01   0.05     0.11   0.10  -0.10
     5   6    -0.11  -0.08   0.04     0.06  -0.12  -0.01    -0.05  -0.10  -0.13
     6   6    -0.10  -0.07   0.00    -0.07   0.04  -0.04    -0.05  -0.12  -0.07
     7   1     0.06  -0.13  -0.11     0.04  -0.08   0.03    -0.04   0.25   0.28
     8   1     0.07  -0.00  -0.02     0.04  -0.01   0.05    -0.08  -0.02   0.12
     9   1     0.13   0.12  -0.07     0.11   0.19   0.05     0.12  -0.01   0.07
    10   1     0.17  -0.28  -0.11     0.14  -0.07   0.03     0.12  -0.27   0.03
    11   6     0.02   0.14  -0.02    -0.13   0.09  -0.05    -0.03   0.00   0.04
    12   1     0.03  -0.08  -0.09     0.06  -0.05  -0.14     0.02  -0.01   0.03
    13   1    -0.10  -0.05   0.11    -0.07   0.01   0.22     0.30   0.10  -0.02
    14   1     0.03   0.01   0.08    -0.03   0.16  -0.06    -0.03   0.01  -0.16
    15   1    -0.17  -0.10   0.08     0.09  -0.13  -0.00    -0.19  -0.13  -0.05
    16   8    -0.06   0.01  -0.02     0.15  -0.08   0.02    -0.06  -0.01  -0.01
    17   6     0.01   0.01   0.02     0.01   0.01  -0.08    -0.02  -0.00  -0.13
    18   6     0.15   0.02  -0.03    -0.11  -0.08   0.01    -0.08  -0.04   0.02
    19   6    -0.04   0.21   0.09     0.02   0.11   0.03    -0.00   0.03  -0.00
    20   1     0.08   0.06  -0.05     0.06   0.02  -0.20    -0.02   0.01  -0.08
    21   1     0.07   0.02   0.21     0.06  -0.04  -0.01    -0.02   0.02  -0.09
    22   1     0.08   0.06  -0.07     0.05  -0.02  -0.03    -0.02   0.04  -0.20
    23   1     0.39   0.02  -0.05     0.07  -0.09   0.02    -0.05  -0.04   0.01
    24   1     0.03  -0.14  -0.02    -0.24  -0.23   0.04    -0.11  -0.05   0.06
    25   1     0.15  -0.08  -0.03    -0.06  -0.14   0.03    -0.04  -0.07   0.03
    26   1    -0.08   0.30   0.17     0.12  -0.05   0.02     0.01  -0.01  -0.10
    27   1    -0.08   0.08   0.08     0.12   0.07   0.05    -0.00   0.20  -0.01
    28   1    -0.08   0.18   0.12     0.08   0.30   0.13     0.02  -0.02  -0.09
    29   6    -0.04  -0.01  -0.03     0.10   0.08   0.02    -0.05   0.01   0.09
    30   6    -0.01   0.05  -0.00     0.01  -0.08   0.01    -0.06   0.07  -0.00
    31   8     0.10  -0.01   0.00    -0.08   0.09  -0.02     0.10  -0.02  -0.04
    32   1     0.03   0.07   0.01    -0.16  -0.10  -0.01     0.13  -0.02  -0.06
    33   1    -0.07   0.16   0.01     0.17  -0.36  -0.00    -0.13   0.17  -0.11
    34   1     0.09   0.03   0.01    -0.23  -0.05   0.00    -0.13   0.16  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    594.1335               620.7999               643.4786
 Red. masses --      3.2791                 2.8896                 4.2901
 Frc consts  --      0.6820                 0.6561                 1.0466
 IR Inten    --      1.0149                 3.8869                 3.4528
 RamAct Fr= 1--      4.1270                 0.9028                15.9560
  Dep-P Fr= 1--      0.3139                 0.0897                 0.0267
  Dep-U Fr= 1--      0.4778                 0.1647                 0.0520
 Alpha2 Fr= 1--      0.0406                 0.0162                 0.3331
 Beta2  Fr= 1--      0.3286                 0.0248                 0.1383
 AlphaG Fr= 1--      0.0105                -0.0181                -0.1018
 Gamma2 Fr= 1--      0.5488                -0.1350                -0.9488
 Delta2 Fr= 1--      0.6030                -0.0671                -0.2633
 Raman1 Fr= 1--      16.508                  3.611                 63.824
 ROA1   Fr= 1--      71.980                -15.108                -99.512
 CID1   Fr= 1--       4.360                 -4.183                 -1.559
 Raman2 Fr= 1--       3.944                  0.297                  1.659
 ROA2   Fr= 1--       8.347                 -2.703                -20.665
 CID2   Fr= 1--       2.117                 -9.090                -12.454
 Raman3 Fr= 1--       7.887                  0.595                  3.318
 ROA3   Fr= 1--      71.980                -15.108                -99.512
 CID3   Fr= 1--       9.126                -25.403                -29.987
 RC180  Fr= 1--      -0.044                 -0.671                 -0.896
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.03    -0.01  -0.04  -0.04    -0.00   0.06   0.03
     2   6    -0.00   0.05   0.01    -0.01   0.03  -0.03     0.02   0.17   0.06
     3   6     0.02   0.04  -0.13    -0.01  -0.05   0.03    -0.10   0.01   0.02
     4   6    -0.02   0.04  -0.12    -0.00  -0.05   0.10    -0.08  -0.09   0.09
     5   6    -0.03  -0.09  -0.08     0.02   0.04   0.06     0.03  -0.16   0.02
     6   6    -0.07  -0.01   0.12     0.03   0.04  -0.02    -0.00   0.08  -0.02
     7   1    -0.04   0.11   0.04     0.01  -0.09  -0.07     0.08  -0.10   0.01
     8   1    -0.05  -0.05  -0.04     0.02   0.00  -0.02     0.07   0.14   0.08
     9   1     0.07   0.18  -0.04    -0.05  -0.05  -0.00     0.03   0.18   0.08
    10   1     0.09  -0.12  -0.11    -0.05   0.11   0.03     0.04   0.18   0.09
    11   6     0.00   0.00  -0.10     0.00  -0.00   0.03     0.04  -0.02  -0.05
    12   1    -0.01   0.01  -0.12     0.05   0.01   0.03    -0.09   0.08   0.06
    13   1    -0.07   0.06   0.09    -0.00  -0.06  -0.02    -0.08  -0.08   0.28
    14   1     0.00   0.21  -0.20     0.05  -0.12   0.18    -0.13   0.06  -0.04
    15   1     0.00  -0.03  -0.17     0.11   0.00   0.08     0.13  -0.15  -0.03
    16   8     0.02  -0.04  -0.02    -0.02  -0.01  -0.14     0.01  -0.16   0.05
    17   6    -0.00  -0.05   0.29     0.00   0.02  -0.07     0.00   0.03  -0.11
    18   6     0.03   0.02  -0.00     0.00  -0.00   0.00     0.10   0.05  -0.02
    19   6     0.00  -0.07  -0.03    -0.00   0.01   0.01     0.00  -0.15  -0.06
    20   1     0.03  -0.05   0.18    -0.01   0.01  -0.04     0.03   0.00  -0.22
    21   1     0.04  -0.09   0.35    -0.01   0.02  -0.10     0.03  -0.03  -0.13
    22   1     0.04  -0.09   0.34    -0.01   0.02  -0.06     0.03  -0.03  -0.01
    23   1     0.00  -0.00   0.09     0.00   0.01  -0.03    -0.00   0.05   0.00
    24   1    -0.06  -0.02   0.08     0.04   0.02  -0.04     0.14   0.11  -0.02
    25   1     0.19   0.08   0.04    -0.06  -0.01  -0.02     0.12   0.12  -0.02
    26   1     0.01  -0.06   0.04    -0.00   0.02   0.00    -0.02  -0.10  -0.02
    27   1     0.02  -0.20  -0.02    -0.00   0.02   0.01     0.01  -0.23  -0.06
    28   1    -0.01  -0.00   0.05    -0.01   0.00   0.01    -0.03  -0.16  -0.02
    29   6     0.01   0.03   0.13    -0.01   0.02   0.29    -0.06   0.03  -0.04
    30   6    -0.01   0.01   0.01    -0.02   0.03   0.03    -0.17   0.15  -0.01
    31   8     0.02   0.01  -0.05     0.01  -0.02  -0.11     0.17   0.01   0.01
    32   1     0.14  -0.13  -0.08     0.40  -0.30  -0.16    -0.23   0.19   0.01
    33   1     0.01  -0.04  -0.13    -0.04   0.02  -0.30    -0.19   0.18   0.03
    34   1    -0.23   0.14  -0.08    -0.44   0.32  -0.19    -0.12   0.10   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2653               750.7562               800.3926
 Red. masses --      3.1828                 2.5498                 2.2414
 Frc consts  --      0.8250                 0.8468                 0.8460
 IR Inten    --      2.6282                 2.4463                 2.0604
 RamAct Fr= 1--      5.1973                 4.7321                 3.7013
  Dep-P Fr= 1--      0.1642                 0.5702                 0.2014
  Dep-U Fr= 1--      0.2821                 0.7263                 0.3352
 Alpha2 Fr= 1--      0.0775                 0.0161                 0.0501
 Beta2  Fr= 1--      0.2444                 0.5728                 0.2068
 AlphaG Fr= 1--      0.0439                -0.0077                -0.0219
 Gamma2 Fr= 1--      0.8231                 0.1637                 0.3703
 Delta2 Fr= 1--      0.2882                 0.4291                -0.2485
 Raman1 Fr= 1--      20.789                 18.928                 14.805
 ROA1   Fr= 1--      88.241                 29.449                 27.596
 CID1   Fr= 1--       4.245                  1.556                  1.864
 Raman2 Fr= 1--       2.933                  6.874                  2.481
 ROA2   Fr= 1--      17.449                  0.497                 10.875
 CID2   Fr= 1--       5.950                  0.072                  4.382
 Raman3 Fr= 1--       5.865                 13.748                  4.963
 ROA3   Fr= 1--      88.241                 29.449                 27.596
 CID3   Fr= 1--      15.045                  2.142                  5.560
 RC180  Fr= 1--      -0.436                  0.453                 -0.330
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07   0.10     0.01   0.06   0.06     0.07   0.09   0.00
     2   6    -0.00  -0.01   0.07     0.08  -0.08   0.01     0.05   0.14   0.01
     3   6    -0.08   0.08   0.03    -0.09   0.06  -0.04     0.07  -0.03  -0.06
     4   6    -0.07  -0.02   0.05    -0.08  -0.02   0.05    -0.06  -0.12   0.03
     5   6    -0.11  -0.00   0.05     0.03   0.02   0.05    -0.10  -0.11  -0.03
     6   6    -0.11  -0.04  -0.03     0.19  -0.08  -0.01     0.04  -0.04   0.00
     7   1     0.07   0.01   0.03     0.01  -0.00   0.15    -0.08   0.18   0.38
     8   1     0.08   0.14   0.14    -0.08   0.12  -0.03    -0.22  -0.11  -0.19
     9   1     0.08   0.15   0.07    -0.12  -0.47  -0.01    -0.08  -0.13   0.22
    10   1     0.10  -0.14   0.02    -0.20   0.21   0.04    -0.22   0.34  -0.11
    11   6     0.03  -0.00  -0.09    -0.06   0.06  -0.18     0.03  -0.02   0.04
    12   1    -0.12   0.04   0.03    -0.01  -0.01  -0.16     0.14  -0.02  -0.10
    13   1     0.17  -0.04  -0.13     0.08  -0.04  -0.08    -0.21  -0.09   0.28
    14   1    -0.12  -0.29   0.15    -0.13  -0.19   0.09     0.04   0.15  -0.04
    15   1    -0.20  -0.04   0.13     0.02   0.00   0.07    -0.21  -0.04  -0.09
    16   8     0.01   0.08  -0.04     0.01   0.00   0.00    -0.05   0.07  -0.01
    17   6    -0.01   0.01  -0.08     0.04  -0.02   0.05     0.01  -0.01  -0.03
    18   6     0.15   0.07  -0.03    -0.02   0.00  -0.04    -0.02  -0.03   0.01
    19   6     0.01  -0.13  -0.05    -0.01   0.04  -0.02     0.01   0.03   0.02
    20   1     0.07   0.04  -0.26    -0.05  -0.04   0.32    -0.02   0.01   0.09
    21   1     0.07  -0.02   0.10    -0.06   0.05  -0.10    -0.03   0.04  -0.06
    22   1     0.09   0.01  -0.10    -0.07   0.03  -0.03    -0.03   0.05  -0.12
    23   1     0.12   0.06   0.04     0.01  -0.03   0.09    -0.08  -0.02  -0.02
    24   1     0.09   0.05   0.03    -0.22  -0.13   0.09     0.06   0.03  -0.03
    25   1     0.28   0.13  -0.00     0.20   0.05   0.02    -0.10  -0.03  -0.01
    26   1    -0.03  -0.06   0.02     0.03   0.01   0.10    -0.02   0.07  -0.01
    27   1    -0.04  -0.23  -0.06     0.03  -0.20  -0.01    -0.02   0.12   0.02
    28   1    -0.02  -0.14  -0.03    -0.00   0.24   0.15    -0.00  -0.04  -0.04
    29   6     0.06   0.01   0.02    -0.02  -0.02   0.00    -0.01   0.01  -0.00
    30   6     0.14  -0.12   0.01    -0.03   0.02   0.00     0.06  -0.06   0.00
    31   8    -0.09   0.02  -0.01     0.00  -0.02   0.00    -0.01   0.02  -0.00
    32   1     0.15  -0.15  -0.01    -0.01   0.02  -0.00     0.11  -0.05   0.01
    33   1     0.19  -0.19  -0.02    -0.06   0.06  -0.01     0.04  -0.01  -0.00
    34   1     0.07  -0.08  -0.01    -0.02   0.03  -0.00     0.11  -0.05  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    835.4460               849.7820               897.2153
 Red. masses --      1.7711                 2.1290                 2.2565
 Frc consts  --      0.7283                 0.9058                 1.0702
 IR Inten    --      3.9228                 0.5607                 1.3251
 RamAct Fr= 1--      4.3896                 3.0354                 3.0743
  Dep-P Fr= 1--      0.0134                 0.0203                 0.3082
  Dep-U Fr= 1--      0.0264                 0.0398                 0.4712
 Alpha2 Fr= 1--      0.0945                 0.0643                 0.0308
 Beta2  Fr= 1--      0.0193                 0.0201                 0.2414
 AlphaG Fr= 1--     -0.1020                -0.0259                 0.0337
 Gamma2 Fr= 1--      0.2901                -0.2988                 0.8765
 Delta2 Fr= 1--      0.1995                -0.0217                 0.3916
 Raman1 Fr= 1--      17.559                 12.142                 12.297
 ROA1   Fr= 1--      34.235                -29.378                 96.675
 CID1   Fr= 1--       1.950                 -2.420                  7.862
 Raman2 Fr= 1--       0.232                  0.241                  2.897
 ROA2   Fr= 1--       5.366                 -6.997                 17.903
 CID2   Fr= 1--      23.165                -28.978                  6.179
 Raman3 Fr= 1--       0.463                  0.483                  5.794
 ROA3   Fr= 1--      34.235                -29.378                 96.675
 CID3   Fr= 1--      73.897                -60.837                 16.684
 RC180  Fr= 1--      -0.947                 -0.920                 -0.058
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.06   0.05     0.07   0.07   0.02     0.02   0.09   0.15
     2   6    -0.05  -0.01  -0.00     0.01  -0.09  -0.08    -0.09   0.10  -0.08
     3   6     0.06  -0.03   0.07     0.09  -0.09   0.16     0.06  -0.10  -0.06
     4   6     0.02  -0.11   0.04    -0.07  -0.05  -0.01    -0.07   0.02  -0.07
     5   6     0.05  -0.02  -0.07     0.05   0.07  -0.02    -0.01   0.06   0.09
     6   6     0.05   0.00   0.01    -0.09   0.06   0.02     0.01  -0.08  -0.00
     7   1     0.08   0.03  -0.34    -0.10   0.31   0.24     0.04   0.18  -0.03
     8   1     0.24   0.22   0.26    -0.23   0.08  -0.26     0.14  -0.01   0.29
     9   1     0.05   0.20  -0.29    -0.05  -0.21   0.11    -0.04   0.21  -0.33
    10   1     0.20  -0.21   0.09    -0.20  -0.01  -0.28     0.08  -0.07  -0.08
    11   6    -0.01   0.03  -0.04    -0.03   0.01  -0.03     0.02  -0.01   0.02
    12   1     0.21   0.04  -0.01     0.11  -0.16   0.09     0.05  -0.35  -0.22
    13   1    -0.25  -0.08   0.29    -0.25  -0.05  -0.10    -0.20   0.00  -0.34
    14   1     0.03   0.23  -0.14    -0.16  -0.01  -0.10     0.03  -0.11   0.09
    15   1    -0.02   0.08  -0.17     0.17   0.12  -0.13     0.03  -0.01   0.17
    16   8    -0.02   0.11  -0.01     0.01  -0.03   0.01     0.04  -0.06  -0.00
    17   6     0.02   0.00  -0.01    -0.04   0.03  -0.01     0.01  -0.05  -0.02
    18   6    -0.03   0.00  -0.01     0.03   0.02  -0.02    -0.01  -0.01   0.01
    19   6     0.00  -0.02  -0.03    -0.01  -0.01  -0.02     0.01   0.01   0.02
    20   1    -0.04  -0.03   0.09     0.04   0.01  -0.28     0.02   0.07   0.17
    21   1    -0.03   0.01  -0.14     0.07  -0.07   0.12    -0.02   0.08   0.12
    22   1    -0.05  -0.02   0.04     0.09  -0.05   0.12    -0.01   0.12  -0.30
    23   1     0.00  -0.02   0.04     0.07   0.00   0.04    -0.03  -0.01  -0.01
    24   1    -0.11  -0.05   0.05    -0.07  -0.04   0.05     0.03   0.01  -0.01
    25   1     0.07   0.02   0.02     0.15   0.02   0.01    -0.05  -0.02  -0.00
    26   1     0.01  -0.03   0.03     0.02  -0.05   0.03    -0.02   0.06   0.01
    27   1     0.03  -0.13  -0.02     0.04  -0.13  -0.01    -0.03   0.04   0.01
    28   1    -0.00   0.06   0.06    -0.00   0.09   0.07    -0.01  -0.05  -0.02
    29   6    -0.02  -0.02   0.00     0.01  -0.00  -0.00     0.02  -0.01   0.00
    30   6    -0.00  -0.02   0.00    -0.01   0.02  -0.00    -0.02   0.04  -0.00
    31   8    -0.02  -0.03   0.01     0.00  -0.00   0.00     0.01  -0.01  -0.00
    32   1     0.09  -0.01   0.01    -0.05   0.02  -0.00    -0.10   0.03  -0.01
    33   1    -0.07   0.10  -0.01     0.01  -0.02   0.00     0.03  -0.05   0.00
    34   1     0.08  -0.01  -0.01    -0.05   0.02   0.00    -0.11   0.04   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    922.8173               931.8169               952.4276
 Red. masses --      2.9725                 2.8888                 1.9633
 Frc consts  --      1.4914                 1.4778                 1.0493
 IR Inten    --      5.2079                 0.4467                 2.5927
 RamAct Fr= 1--      5.4197                 2.9316                 4.3499
  Dep-P Fr= 1--      0.1013                 0.6640                 0.4059
  Dep-U Fr= 1--      0.1840                 0.7981                 0.5774
 Alpha2 Fr= 1--      0.0946                 0.0045                 0.0315
 Beta2  Fr= 1--      0.1662                 0.3899                 0.4186
 AlphaG Fr= 1--      0.0342                -0.0000                -0.0051
 Gamma2 Fr= 1--     -0.8478                -2.7523                -1.2313
 Delta2 Fr= 1--     -0.9629                -0.5859                -1.1876
 Raman1 Fr= 1--      21.679                 11.726                 17.400
 ROA1   Fr= 1--    -112.200               -282.970               -156.211
 CID1   Fr= 1--      -5.176                -24.131                 -8.978
 Raman2 Fr= 1--       1.995                  4.679                  5.023
 ROA2   Fr= 1--     -12.644                -61.368                -20.051
 CID2   Fr= 1--      -6.339                -13.115                 -3.992
 Raman3 Fr= 1--       3.989                  9.359                 10.047
 ROA3   Fr= 1--    -112.200               -282.970               -156.211
 CID3   Fr= 1--     -28.124                -30.237                -15.548
 RC180  Fr= 1--      -0.632                  0.596                  0.155
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.01  -0.11   0.05     0.04  -0.02   0.05
     2   6    -0.00   0.12   0.01    -0.02   0.15  -0.12    -0.02  -0.03  -0.06
     3   6    -0.06   0.01   0.03    -0.01  -0.07   0.19    -0.02   0.02  -0.08
     4   6     0.04   0.00  -0.02     0.12   0.08  -0.02    -0.00  -0.00   0.05
     5   6     0.13  -0.01   0.00    -0.04  -0.04  -0.05     0.01  -0.00  -0.04
     6   6    -0.07  -0.10  -0.02     0.02  -0.03  -0.02     0.01   0.03  -0.01
     7   1     0.02  -0.18   0.20     0.03  -0.20   0.11     0.01  -0.00   0.11
     8   1    -0.08  -0.07  -0.09    -0.01  -0.02   0.00    -0.04  -0.10   0.00
     9   1    -0.00   0.09   0.25    -0.08   0.04  -0.05    -0.03  -0.06  -0.05
    10   1    -0.08   0.14  -0.08    -0.07   0.23  -0.09    -0.04  -0.04  -0.12
    11   6    -0.00   0.01  -0.01    -0.06   0.05  -0.02    -0.12   0.08   0.09
    12   1    -0.12   0.06   0.12    -0.16  -0.14   0.27     0.17  -0.12  -0.33
    13   1     0.04   0.01   0.07     0.17   0.08   0.01     0.11  -0.01   0.08
    14   1    -0.04   0.08  -0.14     0.04   0.03  -0.06    -0.00  -0.01   0.05
    15   1     0.01   0.01   0.02    -0.08  -0.09   0.03     0.02   0.01  -0.07
    16   8     0.13   0.17  -0.02    -0.08  -0.04   0.01     0.03   0.03   0.00
    17   6    -0.06  -0.07  -0.00     0.04  -0.05   0.02     0.03   0.01   0.02
    18   6     0.00   0.01  -0.02     0.02   0.05  -0.03     0.06   0.10   0.05
    19   6     0.00   0.00  -0.00    -0.03  -0.03  -0.05    -0.05  -0.12  -0.00
    20   1     0.09   0.15  -0.01    -0.03   0.02   0.37    -0.04  -0.04   0.10
    21   1     0.05   0.04   0.48    -0.07   0.11   0.00    -0.03   0.01  -0.13
    22   1     0.10   0.15  -0.38    -0.08   0.10  -0.22    -0.05  -0.02   0.08
    23   1     0.06  -0.00   0.02     0.21   0.03   0.04     0.47   0.15  -0.18
    24   1    -0.07  -0.06   0.02    -0.18  -0.13   0.06     0.08  -0.07  -0.13
    25   1     0.08  -0.01   0.01     0.18  -0.01   0.02    -0.24  -0.20  -0.02
    26   1    -0.01   0.03   0.01     0.06  -0.16   0.04     0.09  -0.39  -0.20
    27   1    -0.01  -0.01  -0.01     0.08  -0.23  -0.02     0.06   0.16   0.02
    28   1    -0.01  -0.02   0.00     0.00   0.19   0.13     0.08  -0.01  -0.08
    29   6     0.04  -0.09   0.01    -0.04   0.05  -0.00     0.01  -0.02   0.00
    30   6    -0.11   0.06  -0.00     0.06  -0.05   0.00    -0.02   0.01  -0.00
    31   8    -0.05  -0.13   0.02     0.02   0.07  -0.01    -0.01  -0.02   0.00
    32   1    -0.03   0.07   0.01     0.09  -0.05   0.00    -0.01   0.02   0.00
    33   1    -0.22   0.23  -0.01     0.07  -0.06   0.00    -0.04   0.04  -0.00
    34   1    -0.03   0.07  -0.02     0.09  -0.06   0.00    -0.01   0.01  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    959.4235               963.7622               974.0698
 Red. masses --      1.6099                 1.6562                 1.7766
 Frc consts  --      0.8731                 0.9063                 0.9931
 IR Inten    --      0.2894                 0.6728                 5.8494
 RamAct Fr= 1--      5.2267                 1.6601                 4.7097
  Dep-P Fr= 1--      0.5525                 0.7026                 0.3414
  Dep-U Fr= 1--      0.7118                 0.8253                 0.5090
 Alpha2 Fr= 1--      0.0197                 0.0014                 0.0425
 Beta2  Fr= 1--      0.6200                 0.2284                 0.3995
 AlphaG Fr= 1--      0.0045                 0.0011                 0.0176
 Gamma2 Fr= 1--     -0.3885                 0.7457                 2.5497
 Delta2 Fr= 1--     -0.0932                -0.0217                 2.6053
 Raman1 Fr= 1--      20.907                  6.640                 18.839
 ROA1   Fr= 1--     -40.274                 70.892                328.140
 CID1   Fr= 1--      -1.926                 10.676                 17.418
 Raman2 Fr= 1--       7.440                  2.740                  4.794
 ROA2   Fr= 1--      -8.578                 18.071                 40.350
 CID2   Fr= 1--      -1.153                  6.595                  8.416
 Raman3 Fr= 1--      14.881                  5.481                  9.589
 ROA3   Fr= 1--     -40.274                 70.892                328.140
 CID3   Fr= 1--      -2.706                 12.935                 34.222
 RC180  Fr= 1--       0.424                  0.651                  0.018
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.07    -0.02   0.02   0.10     0.07  -0.03   0.05
     2   6    -0.04   0.03   0.04     0.03  -0.02  -0.08    -0.07   0.02  -0.09
     3   6     0.07   0.01   0.03    -0.08  -0.01  -0.04    -0.03  -0.02   0.01
     4   6    -0.08   0.02   0.03     0.09  -0.02  -0.02    -0.02   0.06   0.05
     5   6    -0.02  -0.01  -0.04     0.03  -0.01   0.02    -0.00  -0.09  -0.02
     6   6     0.02  -0.01   0.00    -0.02   0.02  -0.01     0.02   0.06   0.00
     7   1    -0.07   0.16  -0.04     0.09  -0.19   0.05    -0.02   0.09   0.16
     8   1    -0.00  -0.21  -0.04     0.05   0.18   0.12    -0.03  -0.21   0.02
     9   1     0.05   0.21   0.03    -0.06  -0.19  -0.13    -0.02   0.12  -0.15
    10   1     0.11  -0.10   0.08    -0.10   0.10  -0.11     0.01  -0.12  -0.19
    11   6    -0.06  -0.06  -0.01    -0.02  -0.06  -0.01     0.06  -0.01  -0.02
    12   1     0.11   0.07   0.04    -0.12  -0.13  -0.09    -0.18  -0.19   0.02
    13   1     0.06   0.00  -0.12     0.01   0.00   0.17     0.31   0.03   0.01
    14   1    -0.20  -0.16   0.03     0.19   0.17  -0.03    -0.14  -0.18   0.07
    15   1    -0.03  -0.02  -0.02     0.06   0.02  -0.02    -0.11  -0.12   0.05
    16   8     0.03   0.01   0.01    -0.02   0.01  -0.01     0.04   0.07  -0.00
    17   6     0.04  -0.01  -0.01    -0.04   0.02   0.02     0.02   0.07   0.02
    18   6     0.08  -0.02  -0.04     0.07  -0.05  -0.02    -0.02  -0.05   0.03
    19   6    -0.08   0.04   0.03    -0.05   0.04   0.05     0.03   0.04  -0.04
    20   1    -0.04  -0.02   0.19     0.04   0.02  -0.20    -0.04  -0.09  -0.09
    21   1    -0.05   0.05  -0.14     0.06  -0.06   0.14     0.00  -0.06  -0.25
    22   1    -0.08   0.02  -0.06     0.08  -0.03   0.10    -0.03  -0.12   0.33
    23   1    -0.26  -0.04   0.09    -0.35  -0.05   0.06    -0.19  -0.02  -0.05
    24   1     0.15   0.18   0.06     0.24   0.22   0.01     0.15   0.10  -0.06
    25   1     0.24   0.23  -0.01     0.12   0.22  -0.02    -0.18  -0.02  -0.02
    26   1     0.14  -0.34  -0.12     0.09  -0.23  -0.13    -0.03   0.18   0.17
    27   1     0.14   0.21   0.08     0.08   0.29   0.07    -0.01  -0.28  -0.04
    28   1     0.10   0.35   0.07     0.09   0.19  -0.02    -0.06   0.06   0.11
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.00  -0.02   0.00
    30   6    -0.01   0.02  -0.00     0.00  -0.02   0.00    -0.03  -0.01   0.00
    31   8    -0.01  -0.02   0.00     0.00   0.01  -0.00    -0.02  -0.03   0.00
    32   1    -0.04   0.02  -0.00     0.06  -0.02   0.01     0.06   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.03   0.04  -0.00    -0.11   0.12  -0.01
    34   1    -0.03   0.01   0.00     0.06  -0.02  -0.01     0.06  -0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    998.5676              1008.0222              1023.8808
 Red. masses --      1.9984                 1.9673                 1.4903
 Frc consts  --      1.1740                 1.1778                 0.9205
 IR Inten    --      4.3657                 1.2269                17.0670
 RamAct Fr= 1--      3.2893                 5.5492                 2.0821
  Dep-P Fr= 1--      0.7052                 0.0468                 0.7499
  Dep-U Fr= 1--      0.8271                 0.0895                 0.8571
 Alpha2 Fr= 1--      0.0026                 0.1104                 0.0000
 Beta2  Fr= 1--      0.4534                 0.0827                 0.2974
 AlphaG Fr= 1--     -0.0043                -0.0613                 0.0003
 Gamma2 Fr= 1--     -1.4858                 0.1389                 0.7342
 Delta2 Fr= 1--     -1.4272                 0.4387                 0.6336
 Raman1 Fr= 1--      13.157                 22.197                  8.328
 ROA1   Fr= 1--    -188.304                 27.371                 90.756
 CID1   Fr= 1--     -14.312                  1.233                 10.897
 Raman2 Fr= 1--       5.441                  0.993                  3.569
 ROA2   Fr= 1--     -24.241                 -0.176                 12.552
 CID2   Fr= 1--      -4.455                 -0.178                  3.517
 Raman3 Fr= 1--      10.883                  1.986                  7.138
 ROA3   Fr= 1--    -188.304                 27.371                 90.756
 CID3   Fr= 1--     -17.303                 13.782                 12.714
 RC180  Fr= 1--       0.654                 -0.821                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.12   0.08     0.02   0.01  -0.03    -0.00   0.00  -0.02
     2   6    -0.02   0.03  -0.10    -0.01  -0.02   0.03    -0.00   0.01  -0.01
     3   6     0.04   0.13  -0.00     0.01   0.02  -0.03     0.01  -0.03   0.01
     4   6    -0.09  -0.02   0.08    -0.05   0.01  -0.05    -0.01   0.01  -0.06
     5   6     0.04   0.03  -0.06     0.14  -0.04   0.09    -0.02  -0.05   0.08
     6   6    -0.00   0.01  -0.03     0.01  -0.00   0.01     0.01   0.02   0.02
     7   1     0.05  -0.15   0.09    -0.04   0.11  -0.02    -0.01   0.01  -0.01
     8   1     0.10  -0.30   0.19    -0.01  -0.10  -0.02    -0.01   0.04  -0.04
     9   1    -0.06  -0.05  -0.18     0.02   0.05   0.01    -0.01   0.00  -0.01
    10   1    -0.01   0.07  -0.03     0.06  -0.08   0.05    -0.01  -0.00  -0.04
    11   6     0.03  -0.00  -0.01    -0.00   0.02   0.01    -0.00   0.01   0.01
    12   1     0.23   0.25  -0.07     0.03  -0.00  -0.06    -0.12  -0.11   0.06
    13   1     0.07  -0.03   0.05    -0.02   0.01  -0.12    -0.07   0.01  -0.09
    14   1    -0.27  -0.11  -0.03    -0.21  -0.06  -0.15     0.06   0.02  -0.01
    15   1     0.13   0.11  -0.20     0.23  -0.04   0.07    -0.08  -0.12   0.18
    16   8    -0.04  -0.02   0.02    -0.04  -0.00   0.01     0.06   0.02  -0.01
    17   6    -0.03  -0.02   0.03    -0.03  -0.03  -0.02     0.03   0.06  -0.01
    18   6    -0.03  -0.01  -0.04     0.00   0.00   0.03    -0.03   0.03  -0.08
    19   6     0.05  -0.01   0.06    -0.03  -0.00  -0.02     0.01  -0.03   0.07
    20   1     0.03   0.04  -0.05     0.05   0.07  -0.05    -0.06  -0.10  -0.04
    21   1     0.03  -0.02   0.20     0.03   0.01   0.17    -0.02  -0.03  -0.30
    22   1     0.05   0.02  -0.02     0.05   0.05  -0.15    -0.05  -0.08   0.23
    23   1    -0.07  -0.05   0.11     0.03   0.03  -0.07     0.09  -0.04   0.16
    24   1    -0.17  -0.06   0.09     0.10   0.03  -0.06    -0.35  -0.16   0.16
    25   1     0.20   0.07   0.02    -0.16  -0.05  -0.01     0.36   0.06   0.03
    26   1    -0.08   0.16  -0.09     0.04  -0.10   0.00    -0.03  -0.02  -0.17
    27   1    -0.11   0.25   0.01     0.04  -0.07  -0.00    -0.07   0.34   0.05
    28   1    -0.00  -0.32  -0.19     0.00   0.11   0.06     0.04  -0.25  -0.19
    29   6    -0.01   0.01  -0.00    -0.09   0.05  -0.00    -0.01  -0.00   0.00
    30   6     0.02  -0.01   0.00    -0.02  -0.14   0.02    -0.04  -0.04   0.00
    31   8     0.01   0.02  -0.00     0.02   0.09  -0.01    -0.01   0.00  -0.00
    32   1     0.02  -0.02  -0.00     0.44  -0.11   0.05     0.14  -0.01   0.02
    33   1     0.02  -0.02  -0.00    -0.29   0.34  -0.03    -0.16   0.18  -0.01
    34   1     0.02  -0.01   0.00     0.40  -0.08  -0.07     0.13  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1049.0645              1057.8776              1068.4219
 Red. masses --      2.4918                 2.0512                 1.8246
 Frc consts  --      1.6157                 1.3525                 1.2271
 IR Inten    --     28.4579                61.1047                 7.4996
 RamAct Fr= 1--      0.9479                 2.6883                 0.0242
  Dep-P Fr= 1--      0.7131                 0.5162                 0.2274
  Dep-U Fr= 1--      0.8325                 0.6809                 0.3705
 Alpha2 Fr= 1--      0.0006                 0.0123                 0.0003
 Beta2  Fr= 1--      0.1315                 0.3051                 0.0015
 AlphaG Fr= 1--     -0.0080                -0.0086                 0.0058
 Gamma2 Fr= 1--      0.9252                 0.8805                -0.0695
 Delta2 Fr= 1--      0.0247                 0.0296                 0.0087
 Raman1 Fr= 1--       3.792                 10.753                  0.097
 ROA1   Fr= 1--      89.612                 85.479                 -6.389
 CID1   Fr= 1--      23.634                  7.949                -66.073
 Raman2 Fr= 1--       1.578                  3.661                  0.018
 ROA2   Fr= 1--      22.008                 20.896                 -1.736
 CID2   Fr= 1--      13.944                  5.708                -96.924
 Raman3 Fr= 1--       3.157                  7.322                  0.036
 ROA3   Fr= 1--      89.612                 85.479                 -6.389
 CID3   Fr= 1--      28.389                 11.674               -178.335
 RC180  Fr= 1--       0.665                  0.362                 -0.259
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.02     0.08   0.04  -0.02     0.01   0.00  -0.00
     2   6    -0.00  -0.01  -0.05    -0.09  -0.03   0.04    -0.01  -0.00   0.00
     3   6     0.06   0.11   0.01    -0.11  -0.02  -0.06    -0.01   0.00  -0.01
     4   6    -0.03  -0.05  -0.15     0.04  -0.03   0.03    -0.00  -0.01  -0.00
     5   6     0.03  -0.08   0.20     0.15   0.02   0.02     0.02  -0.00   0.01
     6   6     0.03   0.01   0.04    -0.01  -0.00   0.03     0.00   0.00   0.01
     7   1     0.03  -0.11   0.07    -0.03   0.12   0.22    -0.00   0.01   0.03
     8   1     0.05  -0.23   0.09    -0.13  -0.11  -0.16    -0.01  -0.03  -0.01
     9   1    -0.03  -0.06  -0.10     0.06   0.27   0.12     0.00   0.02   0.01
    10   1    -0.01   0.00  -0.05     0.05  -0.34  -0.22     0.01  -0.04  -0.02
    11   6     0.02   0.05   0.02     0.01  -0.02   0.00     0.00   0.00   0.00
    12   1    -0.03   0.29   0.20    -0.32  -0.17  -0.00    -0.03  -0.00   0.01
    13   1    -0.21  -0.02   0.01     0.12  -0.02   0.18    -0.00  -0.00   0.01
    14   1    -0.11   0.15  -0.33     0.05   0.05  -0.01     0.00   0.01  -0.00
    15   1    -0.07  -0.07   0.23     0.21   0.08  -0.08     0.04  -0.00   0.00
    16   8    -0.08   0.05  -0.02    -0.12   0.01   0.01    -0.02   0.00  -0.03
    17   6     0.00   0.04  -0.03     0.05  -0.02  -0.03     0.00  -0.00  -0.00
    18   6    -0.02  -0.01   0.02    -0.01   0.01  -0.04    -0.00   0.00  -0.00
    19   6    -0.05  -0.03  -0.04     0.01   0.00   0.03    -0.00  -0.00   0.00
    20   1     0.00  -0.01  -0.12    -0.04  -0.02   0.21    -0.00  -0.00   0.02
    21   1     0.02  -0.02  -0.10    -0.06   0.08  -0.15    -0.00   0.01  -0.01
    22   1     0.02  -0.03   0.07    -0.09   0.04  -0.11    -0.01   0.01  -0.02
    23   1    -0.00   0.01  -0.02     0.01  -0.02   0.08     0.00  -0.00   0.01
    24   1     0.01   0.00  -0.01    -0.14  -0.05   0.07    -0.01  -0.01   0.01
    25   1    -0.08  -0.03   0.00     0.17   0.03   0.01     0.01   0.00   0.00
    26   1     0.08  -0.22  -0.02    -0.03   0.06  -0.03     0.00  -0.01  -0.00
    27   1     0.10  -0.09  -0.00    -0.04   0.10   0.01     0.00   0.01   0.00
    28   1     0.03   0.20   0.08    -0.00  -0.10  -0.06     0.00   0.00  -0.00
    29   6     0.03  -0.01  -0.01    -0.00   0.01  -0.03     0.01   0.02   0.20
    30   6     0.05   0.07   0.00     0.06   0.03   0.02     0.00  -0.01  -0.17
    31   8    -0.01  -0.05   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.04
    32   1    -0.20  -0.00  -0.05    -0.06  -0.06  -0.04    -0.42   0.45   0.13
    33   1     0.24  -0.25  -0.01     0.17  -0.18  -0.03     0.03   0.01   0.36
    34   1    -0.25   0.07   0.03    -0.16   0.06   0.01     0.41  -0.43   0.18
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.2153              1107.5730              1138.9593
 Red. masses --      1.9177                 1.2571                 1.6063
 Frc consts  --      1.2965                 0.9086                 1.2277
 IR Inten    --     64.0902                 4.5976                19.2466
 RamAct Fr= 1--      5.2785                 5.9054                 2.8873
  Dep-P Fr= 1--      0.6934                 0.7469                 0.7106
  Dep-U Fr= 1--      0.8189                 0.8551                 0.8308
 Alpha2 Fr= 1--      0.0052                 0.0003                 0.0020
 Beta2  Fr= 1--      0.7204                 0.8416                 0.3998
 AlphaG Fr= 1--      0.0079                -0.0013                -0.0078
 Gamma2 Fr= 1--      1.0012                -2.1624                 0.0689
 Delta2 Fr= 1--     -0.0184                -0.9113                 0.6026
 Raman1 Fr= 1--      21.114                 23.621                 11.549
 ROA1   Fr= 1--      95.527               -236.749                 25.900
 CID1   Fr= 1--       4.524                -10.023                  2.243
 Raman2 Fr= 1--       8.645                 10.099                  4.798
 ROA2   Fr= 1--      24.177                -44.607                 -3.166
 CID2   Fr= 1--       2.797                 -4.417                 -0.660
 Raman3 Fr= 1--      17.291                 20.199                  9.595
 ROA3   Fr= 1--      95.527               -236.749                 25.900
 CID3   Fr= 1--       5.525                -11.721                  2.699
 RC180  Fr= 1--       0.638                  0.710                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.04    -0.03  -0.01   0.02     0.01  -0.05  -0.01
     2   6    -0.04  -0.04  -0.03    -0.01   0.00  -0.00     0.01  -0.05  -0.03
     3   6    -0.02   0.08  -0.02     0.00   0.01   0.03     0.00   0.03   0.04
     4   6     0.02  -0.08  -0.02     0.01   0.01  -0.00     0.00  -0.02  -0.04
     5   6    -0.10   0.12   0.02     0.05  -0.01   0.00    -0.07  -0.00   0.08
     6   6    -0.04   0.00   0.05    -0.06  -0.00  -0.06    -0.02   0.11   0.00
     7   1     0.06  -0.16   0.23     0.08  -0.29   0.09    -0.08   0.26  -0.18
     8   1    -0.02  -0.15   0.02    -0.07   0.33  -0.12    -0.05   0.13  -0.12
     9   1     0.02   0.08   0.08     0.06   0.12   0.31     0.03  -0.01   0.08
    10   1    -0.04  -0.18  -0.25    -0.07  -0.07  -0.22     0.05   0.08   0.25
    11   6     0.01  -0.00   0.02    -0.00   0.04  -0.03    -0.01   0.08  -0.03
    12   1    -0.10   0.37   0.23     0.36   0.09  -0.21    -0.06  -0.37  -0.17
    13   1    -0.21  -0.05   0.13    -0.22   0.01  -0.24     0.25  -0.00   0.31
    14   1     0.26   0.19   0.04    -0.09  -0.02  -0.07    -0.16   0.07  -0.22
    15   1     0.06   0.17  -0.10    -0.07  -0.13   0.20     0.04   0.11  -0.11
    16   8     0.10  -0.06  -0.01    -0.02   0.00   0.00     0.03   0.01  -0.02
    17   6     0.06  -0.01  -0.03     0.06   0.00   0.03     0.03  -0.07  -0.01
    18   6     0.00  -0.02  -0.00     0.01  -0.05   0.02     0.01  -0.05   0.01
    19   6     0.00   0.00  -0.04     0.02  -0.01   0.01     0.03  -0.03   0.02
    20   1    -0.05  -0.03   0.23    -0.06  -0.07   0.22     0.02   0.06   0.26
    21   1    -0.08   0.09  -0.21    -0.05   0.05  -0.16    -0.07   0.13   0.05
    22   1    -0.11   0.04  -0.12    -0.11  -0.02   0.07    -0.06   0.08  -0.24
    23   1    -0.07  -0.02   0.01    -0.18  -0.02  -0.03    -0.20  -0.04  -0.00
    24   1     0.03   0.03   0.01     0.16   0.11  -0.03     0.13   0.12   0.00
    25   1     0.01   0.02  -0.00    -0.08   0.06  -0.01    -0.03   0.10  -0.01
    26   1     0.02   0.01   0.08    -0.03   0.07  -0.02    -0.04   0.06  -0.05
    27   1     0.04  -0.16  -0.03    -0.05   0.02  -0.01    -0.06   0.03  -0.01
    28   1    -0.02   0.10   0.09    -0.01  -0.13  -0.06     0.01  -0.18  -0.09
    29   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   6    -0.05  -0.04   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   8     0.00   0.03  -0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
    32   1     0.14  -0.01   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    33   1    -0.18   0.18  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    34   1     0.13  -0.01  -0.03     0.00  -0.00   0.00    -0.01   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1163.4795              1173.0882              1191.4361
 Red. masses --      2.2287                 2.1033                 1.8827
 Frc consts  --      1.7776                 1.7054                 1.5746
 IR Inten    --     10.3483                 2.2773                11.9063
 RamAct Fr= 1--      1.7122                 2.2579                 2.2471
  Dep-P Fr= 1--      0.6002                 0.7500                 0.4174
  Dep-U Fr= 1--      0.7502                 0.8571                 0.5890
 Alpha2 Fr= 1--      0.0047                 0.0000                 0.0156
 Beta2  Fr= 1--      0.2141                 0.3226                 0.2206
 AlphaG Fr= 1--     -0.0142                -0.0001                -0.0279
 Gamma2 Fr= 1--      2.0224                 0.4850                -1.2672
 Delta2 Fr= 1--      0.8417                 0.2378                -0.1492
 Raman1 Fr= 1--       6.849                  9.032                  8.988
 ROA1   Fr= 1--     221.085                 54.170               -126.423
 CID1   Fr= 1--      32.281                  5.998                -14.065
 Raman2 Fr= 1--       2.569                  3.871                  2.647
 ROA2   Fr= 1--      41.804                  9.738                -29.218
 CID2   Fr= 1--      16.273                  2.516                -11.038
 Raman3 Fr= 1--       5.138                  7.741                  5.294
 ROA3   Fr= 1--     221.085                 54.170               -126.423
 CID3   Fr= 1--      43.031                  6.998                -23.880
 RC180  Fr= 1--       0.500                  0.714                  0.178
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.02     0.09  -0.01  -0.01     0.01  -0.03  -0.04
     2   6     0.04  -0.04  -0.02    -0.08  -0.02   0.00    -0.07   0.04   0.04
     3   6     0.07  -0.01  -0.07    -0.04   0.02   0.04    -0.03   0.01   0.04
     4   6    -0.08   0.07   0.02    -0.01  -0.05   0.01     0.02   0.02  -0.02
     5   6     0.01  -0.10  -0.05    -0.02   0.02  -0.04    -0.07   0.05   0.01
     6   6    -0.01   0.08   0.12     0.11   0.02  -0.14     0.13  -0.09   0.14
     7   1     0.05  -0.20  -0.08    -0.02   0.12   0.15     0.05  -0.26   0.16
     8   1     0.01   0.29  -0.00    -0.11   0.03  -0.20    -0.12   0.21  -0.24
     9   1     0.03  -0.07   0.17     0.05   0.22   0.03    -0.02   0.14  -0.07
    10   1    -0.09  -0.03  -0.23     0.13  -0.09   0.23     0.03  -0.20  -0.20
    11   6     0.12   0.10   0.09     0.09   0.14  -0.02     0.02   0.04   0.01
    12   1    -0.08  -0.03   0.03    -0.15  -0.01   0.11     0.35  -0.16  -0.38
    13   1     0.06   0.04  -0.18    -0.26  -0.05  -0.08     0.18   0.03   0.13
    14   1     0.24  -0.15   0.42     0.36   0.05   0.29    -0.15   0.03  -0.18
    15   1     0.18  -0.01  -0.22    -0.20  -0.12   0.19    -0.05   0.13  -0.11
    16   8    -0.01   0.04   0.01    -0.00  -0.02   0.01     0.02  -0.03  -0.01
    17   6    -0.00  -0.04  -0.06    -0.06  -0.02   0.06    -0.06   0.04  -0.05
    18   6    -0.05  -0.03  -0.04    -0.04  -0.04   0.01    -0.01  -0.02  -0.02
    19   6    -0.04  -0.04  -0.04    -0.04  -0.06   0.02    -0.00  -0.02  -0.01
    20   1     0.04   0.08   0.04     0.05   0.07  -0.08     0.05   0.04  -0.34
    21   1    -0.04   0.08   0.04     0.07  -0.07   0.31     0.07  -0.11   0.02
    22   1    -0.00   0.09  -0.27     0.12  -0.03   0.08     0.14   0.00  -0.01
    23   1    -0.14  -0.07   0.13    -0.13  -0.03   0.00    -0.08  -0.03   0.04
    24   1    -0.16  -0.02   0.12    -0.01   0.02   0.01    -0.03   0.01   0.03
    25   1     0.11   0.05   0.01    -0.08   0.01  -0.00     0.03   0.04  -0.00
    26   1     0.07  -0.20   0.01     0.04  -0.22  -0.14     0.00  -0.02  -0.00
    27   1     0.11  -0.10  -0.00     0.06   0.11   0.03     0.01  -0.02  -0.01
    28   1     0.01   0.12   0.05     0.08   0.02  -0.09     0.02   0.02  -0.00
    29   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    31   8    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    32   1    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.01
    33   1     0.00   0.00  -0.00    -0.01   0.01  -0.00     0.03  -0.04   0.01
    34   1    -0.01   0.01  -0.00     0.01  -0.00  -0.00    -0.00  -0.01   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1225.4023              1235.4490              1254.9673
 Red. masses --      1.9666                 1.6986                 1.8172
 Frc consts  --      1.7399                 1.5276                 1.6862
 IR Inten    --      2.6165                 0.6364                 5.7603
 RamAct Fr= 1--      5.7473                 1.9207                 6.1710
  Dep-P Fr= 1--      0.7488                 0.7248                 0.6276
  Dep-U Fr= 1--      0.8564                 0.8405                 0.7712
 Alpha2 Fr= 1--      0.0001                 0.0008                 0.0138
 Beta2  Fr= 1--      0.8203                 0.2690                 0.7931
 AlphaG Fr= 1--     -0.0006                 0.0007                 0.0189
 Gamma2 Fr= 1--      0.0950                -0.4741                 3.0886
 Delta2 Fr= 1--      0.0306                 0.0628                 1.0602
 Raman1 Fr= 1--      22.989                  7.683                 24.684
 ROA1   Fr= 1--      10.099                -43.502                330.433
 CID1   Fr= 1--       0.439                 -5.662                 13.387
 Raman2 Fr= 1--       9.844                  3.228                  9.518
 ROA2   Fr= 1--       2.034                -11.881                 65.644
 CID2   Fr= 1--       0.207                 -3.680                  6.897
 Raman3 Fr= 1--      19.688                  6.457                 19.036
 ROA3   Fr= 1--      10.099                -43.502                330.433
 CID3   Fr= 1--       0.513                 -6.737                 17.359
 RC180  Fr= 1--       0.713                  0.681                  0.542
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.07  -0.01   0.03    -0.04   0.01  -0.04
     2   6     0.01  -0.02  -0.04     0.01   0.02  -0.02     0.08   0.04   0.03
     3   6    -0.04   0.05  -0.03     0.06   0.00  -0.03    -0.03  -0.01   0.03
     4   6    -0.00  -0.04  -0.01    -0.03  -0.02   0.03     0.02  -0.01   0.02
     5   6     0.02   0.04   0.00    -0.01   0.07   0.02     0.03   0.04  -0.03
     6   6    -0.01  -0.01  -0.09    -0.01  -0.06  -0.06    -0.02  -0.11   0.02
     7   1    -0.02   0.09  -0.08    -0.02   0.03  -0.17    -0.10   0.25  -0.23
     8   1     0.02  -0.04   0.04     0.05   0.14   0.09     0.19  -0.51   0.33
     9   1     0.07   0.08   0.27     0.10   0.16   0.47     0.01  -0.12   0.11
    10   1     0.04   0.12   0.23    -0.08   0.00  -0.22    -0.12  -0.01  -0.37
    11   6     0.01  -0.04   0.22     0.14  -0.03  -0.06    -0.03   0.18   0.02
    12   1     0.17  -0.20  -0.37    -0.21  -0.17   0.09    -0.12  -0.14   0.01
    13   1     0.05  -0.02   0.11     0.24  -0.02   0.25    -0.06  -0.01  -0.02
    14   1    -0.02   0.05  -0.08    -0.27  -0.01  -0.19     0.03   0.03   0.01
    15   1    -0.12  -0.09   0.22    -0.06   0.11  -0.02     0.02   0.00   0.03
    16   8    -0.01  -0.01  -0.00     0.01  -0.03  -0.00     0.00  -0.01   0.00
    17   6    -0.01   0.02   0.03     0.01   0.03   0.02     0.00   0.03  -0.01
    18   6    -0.00   0.00  -0.09    -0.05   0.03   0.03     0.02  -0.07  -0.01
    19   6     0.00   0.02  -0.09    -0.07  -0.00   0.02     0.02  -0.04  -0.01
    20   1    -0.02  -0.02   0.00    -0.03  -0.05  -0.00    -0.03  -0.05  -0.07
    21   1     0.02  -0.03   0.04     0.02  -0.04  -0.05     0.03  -0.06  -0.09
    22   1     0.00  -0.04   0.13    -0.01  -0.04   0.12     0.01  -0.03   0.09
    23   1    -0.01  -0.07   0.20     0.10   0.03  -0.03    -0.24  -0.05   0.01
    24   1    -0.17   0.01   0.15    -0.10  -0.13  -0.05     0.10   0.13   0.06
    25   1     0.31   0.08   0.00    -0.13  -0.16   0.02    -0.03   0.15  -0.03
    26   1     0.05   0.01   0.22     0.04  -0.19  -0.07    -0.01  -0.02  -0.06
    27   1     0.07  -0.32  -0.06     0.13   0.14   0.06    -0.05  -0.07  -0.02
    28   1    -0.10   0.12   0.18     0.10   0.21  -0.02    -0.01  -0.13  -0.06
    29   6     0.02   0.00   0.00    -0.01   0.00   0.00    -0.03   0.00   0.00
    30   6    -0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    31   8    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.01   0.00  -0.00
    32   1     0.01   0.01   0.01     0.01   0.00   0.00     0.00  -0.01  -0.01
    33   1    -0.02   0.02  -0.00    -0.00   0.00   0.00     0.03  -0.03   0.00
    34   1     0.01   0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.02   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1261.9467              1270.7586              1284.0382
 Red. masses --      1.6457                 3.7774                 1.6468
 Frc consts  --      1.5441                 3.5939                 1.5997
 IR Inten    --      2.8567               433.3801                 0.4647
 RamAct Fr= 1--      2.1673                 0.9054                 5.3803
  Dep-P Fr= 1--      0.6928                 0.4447                 0.7413
  Dep-U Fr= 1--      0.8185                 0.6156                 0.8514
 Alpha2 Fr= 1--      0.0022                 0.0057                 0.0008
 Beta2  Fr= 1--      0.2957                 0.0929                 0.7635
 AlphaG Fr= 1--      0.0057                -0.0105                -0.0017
 Gamma2 Fr= 1--     -0.6778                -0.3631                -3.0656
 Delta2 Fr= 1--     -0.7241                -0.2210                -1.1330
 Raman1 Fr= 1--       8.669                  3.622                 21.521
 ROA1   Fr= 1--     -88.235                -41.924               -330.557
 CID1   Fr= 1--     -10.178                -11.576                -15.360
 Raman2 Fr= 1--       3.548                  1.115                  9.162
 ROA2   Fr= 1--     -10.474                 -6.946                -64.512
 CID2   Fr= 1--      -2.952                 -6.230                 -7.041
 Raman3 Fr= 1--       7.096                  2.230                 18.324
 ROA3   Fr= 1--     -88.235                -41.924               -330.557
 CID3   Fr= 1--     -12.435                -18.803                -18.039
 RC180  Fr= 1--       0.637                  0.231                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.01    -0.00  -0.03  -0.01    -0.03  -0.04   0.04
     2   6     0.02  -0.04   0.04     0.01   0.02   0.02     0.00  -0.01  -0.03
     3   6    -0.04  -0.11  -0.04     0.00   0.03   0.02    -0.02   0.03   0.03
     4   6     0.05   0.01   0.04     0.01  -0.01   0.00    -0.01  -0.00  -0.05
     5   6    -0.03   0.03  -0.03     0.01   0.01  -0.00    -0.01  -0.03  -0.01
     6   6     0.02   0.13  -0.01     0.02  -0.01   0.05     0.13   0.09   0.02
     7   1     0.04  -0.07   0.08    -0.03   0.05  -0.06    -0.10   0.29  -0.26
     8   1     0.05  -0.21   0.12    -0.00  -0.00  -0.02     0.06  -0.07   0.13
     9   1    -0.02  -0.09  -0.16    -0.03  -0.05  -0.10     0.11   0.16   0.48
    10   1    -0.07  -0.12  -0.23    -0.04  -0.03  -0.13    -0.10  -0.16  -0.45
    11   6     0.06   0.03   0.03    -0.01   0.01  -0.02    -0.08  -0.09  -0.03
    12   1     0.13   0.28   0.08    -0.05  -0.13  -0.06     0.11   0.08  -0.04
    13   1     0.08   0.01   0.04    -0.02  -0.00   0.05    -0.01   0.00   0.04
    14   1    -0.42  -0.03  -0.35     0.01   0.01  -0.01     0.23   0.02   0.15
    15   1    -0.34  -0.17   0.33    -0.35   0.12  -0.03    -0.10  -0.11   0.13
    16   8     0.01  -0.01  -0.01    -0.17  -0.07   0.00     0.00   0.00   0.00
    17   6    -0.01  -0.06  -0.00    -0.00  -0.00  -0.01    -0.04  -0.03  -0.01
    18   6    -0.02  -0.00  -0.02     0.01  -0.01   0.01     0.01   0.03   0.00
    19   6    -0.02  -0.01   0.01     0.01  -0.01   0.00     0.03   0.02   0.01
    20   1     0.06   0.10   0.08     0.01   0.01  -0.05     0.07   0.12  -0.04
    21   1    -0.04   0.08   0.15    -0.01   0.00  -0.03     0.02  -0.02   0.15
    22   1     0.02   0.04  -0.15     0.01   0.02  -0.04     0.12   0.02  -0.09
    23   1    -0.02  -0.02   0.06    -0.02   0.00  -0.02     0.11   0.03  -0.04
    24   1    -0.08  -0.02   0.04     0.03   0.02  -0.01     0.03  -0.01  -0.05
    25   1     0.05  -0.00  -0.00    -0.04   0.01  -0.00     0.03  -0.02   0.01
    26   1     0.02  -0.07  -0.03    -0.01   0.02  -0.02    -0.04   0.13   0.02
    27   1     0.04   0.02   0.02    -0.01   0.01  -0.00    -0.07   0.04  -0.01
    28   1     0.03   0.03  -0.02     0.02  -0.00  -0.01    -0.02  -0.04   0.02
    29   6     0.00   0.00   0.00     0.43   0.01  -0.02    -0.01   0.00  -0.00
    30   6    -0.00  -0.00   0.00    -0.10  -0.04   0.01     0.00   0.00  -0.00
    31   8    -0.00  -0.00  -0.00    -0.05   0.02  -0.00     0.00  -0.00   0.00
    32   1     0.00   0.00   0.00     0.02   0.22   0.16     0.00  -0.01  -0.01
    33   1    -0.01   0.01   0.00    -0.41   0.47  -0.04     0.01  -0.02   0.00
    34   1     0.00   0.00  -0.00     0.01   0.21  -0.20    -0.00  -0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1308.0892              1313.3202              1336.6931
 Red. masses --      1.9067                 1.6191                 1.4825
 Frc consts  --      1.9223                 1.6454                 1.5606
 IR Inten    --      0.3603                 6.7086                 5.0582
 RamAct Fr= 1--      2.3315                 1.7958                 4.8275
  Dep-P Fr= 1--      0.6066                 0.6687                 0.7499
  Dep-U Fr= 1--      0.7551                 0.8014                 0.8571
 Alpha2 Fr= 1--      0.0062                 0.0026                 0.0000
 Beta2  Fr= 1--      0.2934                 0.2399                 0.6896
 AlphaG Fr= 1--     -0.0139                -0.0157                 0.0007
 Gamma2 Fr= 1--      0.5864                -0.3783                -0.6261
 Delta2 Fr= 1--      0.7668                -0.1602                -0.8043
 Raman1 Fr= 1--       9.326                  7.183                 19.310
 ROA1   Fr= 1--      80.830                -41.445                -85.842
 CID1   Fr= 1--       8.667                 -5.770                 -4.446
 Raman2 Fr= 1--       3.521                  2.879                  8.275
 ROA2   Fr= 1--       7.938                 -7.799                 -8.592
 CID2   Fr= 1--       2.254                 -2.709                 -1.038
 Raman3 Fr= 1--       7.043                  5.757                 16.550
 ROA3   Fr= 1--      80.830                -41.445                -85.842
 CID3   Fr= 1--      11.477                 -7.199                 -5.187
 RC180  Fr= 1--       0.510                  0.603                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00    -0.03   0.11  -0.03     0.03  -0.01   0.04
     2   6    -0.01   0.01   0.06    -0.03  -0.06  -0.07     0.00   0.01  -0.02
     3   6     0.14  -0.04  -0.04     0.02  -0.07   0.00    -0.09  -0.12   0.01
     4   6    -0.11  -0.02  -0.05     0.03   0.04   0.01    -0.04   0.03  -0.07
     5   6     0.04   0.04   0.01    -0.05  -0.05   0.07     0.00   0.00   0.03
     6   6     0.04  -0.00  -0.10     0.07  -0.00  -0.05    -0.03  -0.05  -0.01
     7   1     0.09  -0.30   0.12     0.11  -0.34   0.22    -0.08   0.32  -0.08
     8   1    -0.03   0.23  -0.08     0.09  -0.29   0.21    -0.00   0.06  -0.01
     9   1    -0.04  -0.02  -0.17     0.13   0.23   0.44     0.02   0.04   0.04
    10   1    -0.04  -0.14  -0.23     0.05   0.04   0.22    -0.00   0.09   0.10
    11   6    -0.13   0.04   0.05    -0.05   0.03   0.01     0.04   0.04  -0.01
    12   1    -0.20   0.05   0.30     0.01   0.06   0.10     0.45   0.56   0.03
    13   1     0.48  -0.01   0.40    -0.02   0.04  -0.08     0.38   0.04   0.22
    14   1     0.07   0.00   0.09    -0.11  -0.06  -0.05     0.17   0.03   0.11
    15   1    -0.05  -0.02   0.13     0.14   0.26  -0.40     0.19   0.04  -0.07
    16   8    -0.00  -0.01   0.00    -0.01   0.00  -0.00    -0.02   0.00   0.00
    17   6    -0.02   0.00   0.02    -0.02   0.01   0.01     0.01   0.02   0.00
    18   6     0.03  -0.02  -0.01     0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    19   6     0.04  -0.01  -0.01     0.02  -0.01   0.01    -0.01   0.00   0.01
    20   1    -0.02   0.00   0.04     0.00   0.03  -0.00    -0.03  -0.05   0.00
    21   1     0.04  -0.04   0.11     0.04  -0.05   0.06     0.01  -0.02  -0.06
    22   1     0.04  -0.04   0.09     0.08  -0.03   0.06    -0.03  -0.01   0.05
    23   1    -0.05  -0.01   0.00    -0.04  -0.01   0.00    -0.05  -0.01   0.02
    24   1     0.07   0.09   0.04     0.02   0.03   0.02    -0.02  -0.02   0.01
    25   1     0.02   0.10  -0.02     0.01   0.04  -0.01    -0.02  -0.01  -0.01
    26   1    -0.03   0.11   0.03    -0.02   0.04  -0.02     0.02  -0.07  -0.04
    27   1    -0.09  -0.06  -0.04    -0.05   0.01  -0.01     0.02  -0.01   0.02
    28   1    -0.05  -0.09   0.04    -0.01  -0.05  -0.01     0.01  -0.01  -0.04
    29   6     0.00  -0.00   0.00     0.04  -0.00  -0.00     0.03  -0.00  -0.00
    30   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00   0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00    -0.01   0.03   0.02    -0.01   0.03   0.02
    33   1    -0.00   0.00  -0.00    -0.03   0.04  -0.00    -0.03   0.03  -0.00
    34   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.01   0.02  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1342.0915              1363.1775              1397.1383
 Red. masses --      1.6697                 1.8310                 1.2701
 Frc consts  --      1.7719                 2.0047                 1.4607
 IR Inten    --      2.9502                 0.4529                48.8070
 RamAct Fr= 1--      3.1183                 1.2836                 2.0515
  Dep-P Fr= 1--      0.5262                 0.7196                 0.5693
  Dep-U Fr= 1--      0.6896                 0.8369                 0.7255
 Alpha2 Fr= 1--      0.0135                 0.0007                 0.0070
 Beta2  Fr= 1--      0.3584                 0.1791                 0.2481
 AlphaG Fr= 1--     -0.0073                 0.0118                -0.0280
 Gamma2 Fr= 1--      1.1835                 0.5667                -0.0395
 Delta2 Fr= 1--      0.6430                 0.5298                -0.0467
 Raman1 Fr= 1--      12.473                  5.134                  8.206
 ROA1   Fr= 1--     134.194                 71.359                 -5.286
 CID1   Fr= 1--      10.758                 13.898                 -0.644
 Raman2 Fr= 1--       4.301                  2.149                  2.977
 ROA2   Fr= 1--      23.261                  9.364                 -0.575
 CID2   Fr= 1--       5.409                  4.358                 -0.193
 Raman3 Fr= 1--       8.601                  4.297                  5.954
 ROA3   Fr= 1--     134.194                 71.359                 -5.286
 CID3   Fr= 1--      15.602                 16.606                 -0.888
 RC180  Fr= 1--       0.379                  0.674                  0.451
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.07  -0.08    -0.01   0.05  -0.01     0.00   0.00  -0.00
     2   6     0.02  -0.01   0.04    -0.02  -0.04  -0.11     0.00  -0.00  -0.01
     3   6    -0.02   0.03   0.12     0.03  -0.01  -0.01    -0.01  -0.01   0.00
     4   6    -0.06  -0.01  -0.07    -0.04  -0.03  -0.02    -0.01   0.01  -0.01
     5   6     0.00   0.00   0.01     0.05   0.07  -0.10     0.04  -0.01   0.02
     6   6    -0.04   0.05  -0.04    -0.01  -0.03   0.17    -0.01   0.00   0.01
     7   1     0.07  -0.33   0.21     0.06  -0.16   0.10    -0.00   0.00   0.01
     8   1     0.12  -0.39   0.20     0.02  -0.08   0.05     0.00  -0.02   0.01
     9   1    -0.03  -0.08  -0.14     0.06   0.08   0.29    -0.00  -0.02   0.01
    10   1    -0.04  -0.05  -0.11     0.11   0.18   0.47     0.01   0.02   0.04
    11   6     0.08  -0.05  -0.04    -0.02   0.02  -0.05     0.00   0.00  -0.00
    12   1     0.24  -0.30  -0.30    -0.06  -0.00   0.07     0.04   0.02  -0.01
    13   1     0.17   0.01   0.23     0.18  -0.03   0.17     0.03   0.01   0.01
    14   1     0.29   0.01   0.23     0.05   0.03   0.02     0.05  -0.00   0.06
    15   1     0.11  -0.07   0.07    -0.09  -0.36   0.52    -0.35   0.18  -0.11
    16   8    -0.00   0.01   0.00    -0.01  -0.00   0.01    -0.01  -0.02  -0.01
    17   6     0.02  -0.02   0.01    -0.00   0.01  -0.04     0.01   0.00  -0.00
    18   6    -0.03   0.01   0.02     0.02  -0.01   0.02    -0.01  -0.01   0.00
    19   6    -0.03   0.02   0.01     0.01  -0.01   0.02     0.00  -0.02  -0.00
    20   1     0.00  -0.00   0.08     0.01   0.00  -0.09    -0.00  -0.01   0.00
    21   1    -0.03   0.07   0.01    -0.02   0.01  -0.07    -0.01   0.01  -0.00
    22   1    -0.06   0.00  -0.02    -0.02   0.02  -0.06    -0.02  -0.00   0.00
    23   1     0.07   0.02  -0.02    -0.04   0.02  -0.06     0.05  -0.00  -0.01
    24   1     0.01  -0.04  -0.07     0.02  -0.01  -0.00     0.04   0.04  -0.02
    25   1     0.02  -0.08   0.03    -0.08   0.03  -0.01     0.05   0.02   0.02
    26   1     0.03  -0.07  -0.02    -0.02   0.03  -0.05    -0.05   0.07   0.01
    27   1     0.08   0.00   0.03    -0.06   0.05  -0.00    -0.01   0.08  -0.01
    28   1     0.03   0.02  -0.06     0.01  -0.03  -0.01     0.04   0.09   0.04
    29   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.04   0.01  -0.00
    30   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.11   0.09  -0.00
    31   8    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    32   1    -0.01   0.00   0.00     0.01  -0.01  -0.00     0.40  -0.28  -0.20
    33   1    -0.01   0.01  -0.00     0.00  -0.01   0.01     0.19  -0.40   0.02
    34   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.42  -0.25   0.22
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1406.4222              1413.0039              1419.5499
 Red. masses --      1.2651                 1.2839                 1.2851
 Frc consts  --      1.4744                 1.5103                 1.5257
 IR Inten    --     10.2186                 6.0446                19.5896
 RamAct Fr= 1--      0.6800                 0.4904                 2.6276
  Dep-P Fr= 1--      0.6189                 0.2357                 0.7454
  Dep-U Fr= 1--      0.7646                 0.3814                 0.8542
 Alpha2 Fr= 1--      0.0016                 0.0060                 0.0002
 Beta2  Fr= 1--      0.0867                 0.0312                 0.3741
 AlphaG Fr= 1--      0.0049                 0.0001                 0.0068
 Gamma2 Fr= 1--     -0.2025                -0.0932                -1.2447
 Delta2 Fr= 1--     -0.1635                -0.0821                -0.8224
 Raman1 Fr= 1--       2.720                  1.962                 10.510
 ROA1   Fr= 1--     -24.670                -11.573               -145.804
 CID1   Fr= 1--      -9.070                 -5.900                -13.872
 Raman2 Fr= 1--       1.040                  0.374                  4.489
 ROA2   Fr= 1--      -3.551                 -1.580                -23.293
 CID2   Fr= 1--      -3.415                 -4.224                 -5.189
 Raman3 Fr= 1--       2.080                  0.748                  8.977
 ROA3   Fr= 1--     -24.670                -11.573               -145.804
 CID3   Fr= 1--     -11.863                -15.467                -16.241
 RC180  Fr= 1--       0.529                 -0.237                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00   0.01
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.01
     4   6    -0.01   0.01  -0.00     0.00   0.00   0.00     0.03  -0.01   0.01
     5   6     0.03  -0.00   0.01     0.01  -0.00  -0.00    -0.09   0.01  -0.03
     6   6    -0.02  -0.01   0.01    -0.00  -0.00   0.04     0.02  -0.01  -0.02
     7   1     0.01   0.00  -0.01    -0.01   0.01  -0.01     0.01  -0.00  -0.03
     8   1    -0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.03   0.02  -0.03
     9   1    -0.02  -0.05   0.02    -0.00  -0.00  -0.01     0.00   0.02  -0.01
    10   1     0.03   0.00   0.04    -0.00   0.02   0.01    -0.02  -0.02  -0.06
    11   6     0.02   0.02  -0.00     0.00  -0.01  -0.01     0.01   0.01   0.00
    12   1     0.03   0.03  -0.00     0.00  -0.00  -0.01    -0.04  -0.00   0.03
    13   1     0.02   0.01   0.01    -0.00   0.00  -0.03    -0.06  -0.01   0.04
    14   1     0.03  -0.02   0.04     0.01   0.02   0.00    -0.12  -0.04  -0.10
    15   1    -0.21   0.10  -0.05    -0.11   0.04  -0.02     0.68  -0.31   0.18
    16   8     0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.02   0.03   0.02
    17   6     0.01   0.01  -0.01    -0.00   0.02  -0.14    -0.01   0.01  -0.00
    18   6    -0.09  -0.04   0.01    -0.01  -0.00   0.00    -0.07  -0.03   0.01
    19   6     0.01  -0.08  -0.03    -0.01   0.03   0.02    -0.00   0.01  -0.00
    20   1    -0.04  -0.04   0.03    -0.20   0.03   0.52    -0.02  -0.01   0.03
    21   1     0.03  -0.00   0.03     0.22  -0.00   0.48     0.04  -0.05   0.03
    22   1    -0.03  -0.01   0.02     0.03  -0.30   0.43     0.04  -0.01   0.02
    23   1     0.34  -0.01  -0.09     0.04  -0.00  -0.01     0.25  -0.01  -0.08
    24   1     0.27   0.23  -0.17     0.05   0.02  -0.05     0.20   0.16  -0.15
    25   1     0.35   0.14   0.11     0.06  -0.01   0.02     0.27   0.10   0.09
    26   1    -0.17   0.26   0.13     0.06  -0.10  -0.06     0.04  -0.04   0.05
    27   1    -0.03   0.36  -0.03     0.05  -0.17   0.02     0.02   0.02   0.00
    28   1     0.07   0.29   0.22     0.01  -0.11  -0.14    -0.06  -0.06   0.01
    29   6    -0.03   0.00   0.00    -0.01   0.00   0.00     0.06  -0.01  -0.00
    30   6     0.04  -0.03   0.00     0.00  -0.00   0.00    -0.05   0.03  -0.00
    31   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
    32   1    -0.14   0.09   0.06    -0.01   0.00   0.00     0.14  -0.07  -0.06
    33   1    -0.06   0.13  -0.01    -0.00   0.01  -0.00     0.05  -0.12   0.01
    34   1    -0.14   0.08  -0.07    -0.01   0.00  -0.00     0.14  -0.06   0.06
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1430.7571              1471.5742              1478.0995
 Red. masses --      1.2070                 1.0519                 1.0460
 Frc consts  --      1.4557                 1.3421                 1.3464
 IR Inten    --      6.2919                12.2609                 9.0625
 RamAct Fr= 1--      2.3077                 6.2467                 5.8886
  Dep-P Fr= 1--      0.1844                 0.6804                 0.7500
  Dep-U Fr= 1--      0.3113                 0.8098                 0.8571
 Alpha2 Fr= 1--      0.0327                 0.0077                 0.0000
 Beta2  Fr= 1--      0.1197                 0.8431                 0.8412
 AlphaG Fr= 1--      0.0357                 0.0011                -0.0001
 Gamma2 Fr= 1--      0.1118                -0.1324                 0.0739
 Delta2 Fr= 1--     -0.1720                -0.1716                 0.1321
 Raman1 Fr= 1--       9.231                 24.987                 23.554
 ROA1   Fr= 1--       5.228                -18.203                 11.323
 CID1   Fr= 1--       0.566                 -0.728                  0.481
 Raman2 Fr= 1--       1.437                 10.117                 10.095
 ROA2   Fr= 1--       4.059                 -1.806                  0.717
 CID2   Fr= 1--       2.825                 -0.178                  0.071
 Raman3 Fr= 1--       2.874                 20.234                 20.189
 ROA3   Fr= 1--       5.228                -18.203                 11.323
 CID3   Fr= 1--       1.819                 -0.900                  0.561
 RC180  Fr= 1--      -0.377                  0.620                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.03  -0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   1    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.02  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.02   0.03  -0.06     0.00   0.00  -0.00    -0.00  -0.01   0.00
    10   1    -0.05   0.02  -0.04    -0.00   0.00  -0.00     0.01  -0.01  -0.00
    11   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.02  -0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.06   0.01   0.06     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1    -0.02  -0.07   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    15   1     0.26  -0.12   0.06    -0.01   0.00   0.00     0.00   0.00  -0.00
    16   8    -0.01   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   6     0.00   0.01  -0.04     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.07   0.02  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   6     0.01  -0.09  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
    20   1    -0.06  -0.01   0.15    -0.00  -0.01  -0.00     0.01   0.01  -0.00
    21   1     0.06   0.02   0.18     0.00   0.00   0.01    -0.01   0.01   0.00
    22   1    -0.03  -0.10   0.14    -0.01   0.00  -0.00    -0.01  -0.01   0.01
    23   1    -0.27   0.01   0.07    -0.00  -0.00   0.00     0.00  -0.00   0.01
    24   1    -0.22  -0.18   0.15    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.28  -0.10  -0.09    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1    -0.16   0.26   0.20    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1    -0.05   0.45  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.01   0.27   0.30     0.00   0.00  -0.00     0.00   0.00   0.00
    29   6     0.02  -0.00  -0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.02
    30   6    -0.01   0.01  -0.00    -0.04  -0.03   0.00    -0.00  -0.00  -0.05
    31   8    -0.00  -0.00   0.00     0.00  -0.02   0.00    -0.00  -0.00   0.00
    32   1     0.03  -0.01  -0.01     0.22   0.49   0.32     0.49   0.10   0.04
    33   1     0.01  -0.03  -0.00     0.20  -0.41   0.01     0.03   0.04   0.72
    34   1     0.03  -0.01   0.01     0.22   0.44  -0.41    -0.46  -0.07   0.06
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1484.9441              1488.7361              1496.5086
 Red. masses --      1.0625                 1.0552                 1.0502
 Frc consts  --      1.3804                 1.3780                 1.3858
 IR Inten    --      0.1744                 2.6765                 3.5817
 RamAct Fr= 1--     13.1045                 2.0466                 6.5009
  Dep-P Fr= 1--      0.7487                 0.7492                 0.7466
  Dep-U Fr= 1--      0.8563                 0.8566                 0.8549
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0004
 Beta2  Fr= 1--      1.8702                 0.2922                 0.9263
 AlphaG Fr= 1--      0.0023                -0.0000                 0.0024
 Gamma2 Fr= 1--      0.5699                -0.6974                 0.1459
 Delta2 Fr= 1--      0.4884                -0.1469                -0.2334
 Raman1 Fr= 1--      52.418                  8.186                 26.004
 ROA1   Fr= 1--      70.337                -71.648                  6.540
 CID1   Fr= 1--       1.342                 -8.752                  0.251
 Raman2 Fr= 1--      22.442                  3.506                 11.116
 ROA2   Fr= 1--       9.770                -15.561                  5.369
 CID2   Fr= 1--       0.435                 -4.438                  0.483
 Raman3 Fr= 1--      44.884                  7.012                 22.232
 ROA3   Fr= 1--      70.337                -71.648                  6.540
 CID3   Fr= 1--       1.567                -10.217                  0.294
 RC180  Fr= 1--       0.713                  0.713                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     2   6     0.00  -0.01   0.00    -0.01   0.03  -0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.02   0.02  -0.03     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.03   0.01   0.00
     7   1     0.11  -0.08  -0.22    -0.05   0.04   0.10    -0.00  -0.00   0.02
     8   1    -0.20  -0.13  -0.13     0.08   0.07   0.05     0.01   0.00   0.00
     9   1     0.04   0.08  -0.04    -0.12  -0.22   0.12    -0.01  -0.03  -0.03
    10   1    -0.07   0.07  -0.00     0.20  -0.17   0.03     0.01   0.00   0.02
    11   6    -0.01  -0.00   0.00    -0.00  -0.01  -0.01     0.00  -0.00   0.00
    12   1     0.01   0.02   0.00     0.00   0.01   0.01     0.01  -0.00  -0.01
    13   1    -0.18   0.04   0.25    -0.04   0.01   0.05     0.00  -0.00   0.01
    14   1    -0.06  -0.29   0.10    -0.02  -0.07   0.02     0.00  -0.00   0.00
    15   1    -0.07   0.03  -0.01     0.07  -0.02   0.01     0.00  -0.01   0.02
    16   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    17   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.01    -0.04   0.02   0.01
    18   6     0.01  -0.02   0.02     0.00  -0.02  -0.03     0.01   0.00  -0.00
    19   6    -0.03   0.00  -0.02    -0.02  -0.01   0.01    -0.01  -0.01   0.01
    20   1     0.06   0.10   0.01     0.13   0.19  -0.01    -0.11   0.06   0.35
    21   1    -0.05   0.05  -0.05    -0.13   0.17  -0.04     0.19  -0.50  -0.30
    22   1     0.05  -0.03   0.04     0.03  -0.09   0.13     0.60   0.10  -0.17
    23   1     0.00   0.09  -0.35     0.31  -0.09   0.20    -0.03  -0.00   0.02
    24   1    -0.13  -0.14   0.06    -0.04   0.35   0.37    -0.01  -0.01   0.00
    25   1    -0.02   0.36  -0.02    -0.29   0.08  -0.10    -0.01  -0.03  -0.01
    26   1     0.03   0.00   0.33    -0.12   0.17  -0.01    -0.10   0.13  -0.04
    27   1     0.37   0.07   0.08     0.20  -0.09   0.06     0.08  -0.05   0.02
    28   1    -0.01  -0.15  -0.17     0.20   0.09  -0.21     0.14   0.10  -0.10
    29   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.00    -0.01   0.00  -0.00     0.01   0.01   0.00
    33   1     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.01
    34   1    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1500.4883              1503.0821              1508.2507
 Red. masses --      1.0660                 1.0626                 1.0553
 Frc consts  --      1.4141                 1.4144                 1.4144
 IR Inten    --     10.6953                 7.6098                 1.1503
 RamAct Fr= 1--      2.0337                 1.2700                 3.6478
  Dep-P Fr= 1--      0.6971                 0.4980                 0.7355
  Dep-U Fr= 1--      0.8215                 0.6649                 0.8476
 Alpha2 Fr= 1--      0.0019                 0.0063                 0.0009
 Beta2  Fr= 1--      0.2785                 0.1407                 0.5153
 AlphaG Fr= 1--     -0.0108                 0.0192                -0.0038
 Gamma2 Fr= 1--     -0.8364                 1.6237                 0.2756
 Delta2 Fr= 1--     -0.0612                 0.6021                 0.1213
 Raman1 Fr= 1--       8.135                  5.080                 14.591
 ROA1   Fr= 1--     -82.252                175.146                 30.336
 CID1   Fr= 1--     -10.111                 34.479                  2.079
 Raman2 Fr= 1--       3.341                  1.689                  6.184
 ROA2   Fr= 1--     -19.584                 34.153                  5.643
 CID2   Fr= 1--      -5.861                 20.223                  0.913
 Raman3 Fr= 1--       6.683                  3.378                 12.367
 ROA3   Fr= 1--     -82.252                175.146                 30.336
 CID3   Fr= 1--     -12.308                 51.855                  2.453
 RC180  Fr= 1--       0.643                  0.330                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01    -0.01  -0.02  -0.03     0.01   0.01   0.02
     2   6     0.00  -0.00   0.00    -0.01   0.03  -0.02     0.01  -0.01   0.01
     3   6    -0.00  -0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00  -0.00
     4   6    -0.03  -0.03   0.04     0.01   0.01  -0.01     0.01   0.01  -0.02
     5   6    -0.01  -0.00   0.00     0.01   0.00   0.00     0.01   0.01  -0.00
     6   6    -0.01  -0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.03  -0.00
     7   1    -0.04   0.03   0.08    -0.13   0.11   0.26     0.08  -0.06  -0.17
     8   1     0.06   0.03   0.05     0.23   0.16   0.14    -0.14  -0.09  -0.10
     9   1     0.01   0.02  -0.02    -0.13  -0.25   0.13     0.05   0.10  -0.07
    10   1    -0.02   0.02  -0.01     0.24  -0.20   0.05    -0.09   0.10   0.00
    11   6     0.01  -0.00   0.00    -0.01   0.02  -0.01     0.00   0.01   0.01
    12   1     0.01  -0.02  -0.01    -0.01   0.02   0.01    -0.00   0.00  -0.00
    13   1     0.30  -0.06  -0.38    -0.11   0.02   0.15    -0.13   0.03   0.17
    14   1     0.10   0.44  -0.14    -0.04  -0.18   0.05    -0.04  -0.19   0.06
    15   1     0.04  -0.01  -0.01    -0.06   0.03  -0.01     0.02   0.00  -0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00    -0.01  -0.03  -0.01
    18   6     0.00  -0.01   0.02    -0.00   0.02   0.01    -0.01   0.02  -0.00
    19   6    -0.00  -0.01  -0.01    -0.00   0.01  -0.03     0.02  -0.01   0.02
    20   1     0.20   0.34   0.07     0.08   0.15   0.05     0.26   0.41   0.04
    21   1    -0.17   0.16  -0.13    -0.06   0.03  -0.09    -0.23   0.23  -0.17
    22   1     0.20  -0.12   0.17     0.14  -0.04   0.05     0.20  -0.15   0.21
    23   1    -0.01   0.08  -0.28    -0.17   0.00   0.06    -0.11  -0.03   0.14
    24   1    -0.08  -0.14  -0.00     0.09  -0.10  -0.22     0.09  -0.03  -0.16
    25   1     0.03   0.24   0.00     0.14  -0.21   0.06     0.12  -0.23   0.05
    26   1     0.01   0.00   0.11     0.15  -0.16   0.31    -0.06   0.04  -0.28
    27   1     0.03   0.08   0.00     0.10   0.19   0.01    -0.23  -0.11  -0.05
    28   1    -0.04  -0.01   0.04    -0.21  -0.22   0.08     0.07   0.14   0.06
    29   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    34   1     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1513.4308              1523.1423              1528.4381
 Red. masses --      1.0710                 1.0621                 1.0850
 Frc consts  --      1.4454                 1.4518                 1.4934
 IR Inten    --      3.0945                 7.4278                 9.6850
 RamAct Fr= 1--      5.8338                 3.0046                 6.0757
  Dep-P Fr= 1--      0.6610                 0.7212                 0.5031
  Dep-U Fr= 1--      0.7959                 0.8380                 0.6695
 Alpha2 Fr= 1--      0.0093                 0.0015                 0.0296
 Beta2  Fr= 1--      0.7739                 0.4197                 0.6779
 AlphaG Fr= 1--     -0.0021                -0.0045                 0.0034
 Gamma2 Fr= 1--      0.0541                -1.2354                 0.5117
 Delta2 Fr= 1--      0.3435                -0.7415                 0.1723
 Raman1 Fr= 1--      23.335                 12.019                 24.303
 ROA1   Fr= 1--      16.189               -142.322                 54.633
 CID1   Fr= 1--       0.694                -11.842                  2.248
 Raman2 Fr= 1--       9.286                  5.036                  8.135
 ROA2   Fr= 1--      -1.449                -23.717                 10.901
 CID2   Fr= 1--      -0.156                 -4.710                  1.340
 Raman3 Fr= 1--      18.573                 10.072                 16.270
 ROA3   Fr= 1--      16.189               -142.322                 54.633
 CID3   Fr= 1--       0.872                -14.131                  3.358
 RC180  Fr= 1--       0.592                  0.676                  0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.02     0.00  -0.00   0.00    -0.01  -0.04  -0.04
     2   6     0.00  -0.03   0.01     0.01  -0.04   0.01     0.01  -0.04   0.01
     3   6     0.01   0.00  -0.01     0.00   0.00   0.01    -0.00   0.00  -0.01
     4   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00     0.02   0.01  -0.01
     5   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     6   6     0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.01
     7   1    -0.08   0.06   0.14     0.02  -0.02  -0.03    -0.21   0.16   0.40
     8   1     0.13   0.09   0.08    -0.02  -0.02  -0.01     0.35   0.25   0.21
     9   1     0.10   0.18  -0.08     0.16   0.30  -0.15     0.14   0.25  -0.14
    10   1    -0.16   0.14  -0.02    -0.28   0.25  -0.02    -0.24   0.21  -0.03
    11   6    -0.04   0.02   0.01    -0.00   0.01  -0.03     0.01  -0.01   0.01
    12   1    -0.03   0.00   0.02    -0.01  -0.01   0.01    -0.01  -0.01  -0.02
    13   1     0.03  -0.01  -0.07     0.05  -0.01  -0.06    -0.15   0.03   0.18
    14   1     0.01   0.06  -0.03     0.03   0.07  -0.01    -0.06  -0.21   0.06
    15   1     0.03  -0.03   0.02    -0.07   0.02  -0.01    -0.02   0.01   0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.01  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.02   0.00    -0.01  -0.00  -0.03    -0.01  -0.02   0.01
    19   6    -0.03  -0.02   0.01    -0.00   0.01  -0.02     0.01   0.01   0.01
    20   1     0.02  -0.04  -0.11     0.03   0.08   0.04     0.02   0.03   0.01
    21   1    -0.04   0.09   0.05    -0.02  -0.02  -0.07    -0.01   0.01  -0.02
    22   1    -0.14   0.01  -0.00     0.11  -0.01   0.01     0.02  -0.01   0.01
    23   1    -0.18  -0.01   0.10     0.20  -0.11   0.36     0.13   0.04  -0.21
    24   1     0.11  -0.09  -0.24     0.10   0.32   0.15    -0.07  -0.00   0.10
    25   1     0.18  -0.24   0.06    -0.14  -0.20  -0.04    -0.03   0.27  -0.02
    26   1    -0.18   0.29   0.14     0.15  -0.16   0.31     0.01  -0.04  -0.17
    27   1     0.43  -0.11   0.11     0.11   0.21   0.01    -0.17  -0.07  -0.04
    28   1     0.28   0.06  -0.37    -0.21  -0.22   0.07    -0.01   0.05   0.07
    29   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    34   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1788.9246              3029.7172              3033.5596
 Red. masses --     11.1076                 1.0352                 1.0402
 Frc consts  --     20.9438                 5.5985                 5.6400
 IR Inten    --    241.8387                22.2010                11.2107
 RamAct Fr= 1--      8.3890                75.7401                 6.2420
  Dep-P Fr= 1--      0.1767                 0.0087                 0.7461
  Dep-U Fr= 1--      0.3003                 0.0172                 0.8546
 Alpha2 Fr= 1--      0.1211                 1.6493                 0.0004
 Beta2  Fr= 1--      0.4199                 0.2177                 0.8891
 AlphaG Fr= 1--     -0.0462                -0.1733                 0.0024
 Gamma2 Fr= 1--     -0.4940                -0.5497                 0.1872
 Delta2 Fr= 1--      0.0052                -1.4146                 0.6052
 Raman1 Fr= 1--      33.556                302.960                 24.968
 ROA1   Fr= 1--     -47.261                -98.037                 37.338
 CID1   Fr= 1--      -1.408                 -0.324                  1.495
 Raman2 Fr= 1--       5.039                  2.612                 10.669
 ROA2   Fr= 1--     -11.898                 -1.877                 -0.349
 CID2   Fr= 1--      -2.361                 -0.718                 -0.033
 Raman3 Fr= 1--      10.078                  5.224                 21.337
 ROA3   Fr= 1--     -47.261                -98.037                 37.338
 CID3   Fr= 1--      -4.689                -18.766                  1.750
 RC180  Fr= 1--      -0.399                 -0.966                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.02   0.03  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.00   0.01
     9   1    -0.01  -0.02   0.01    -0.02   0.01   0.00    -0.01   0.00   0.00
    10   1     0.01  -0.02   0.00     0.03   0.03  -0.02     0.01   0.01  -0.01
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.01   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.05   0.00   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   1     0.01   0.03  -0.02    -0.00   0.00   0.00     0.01  -0.00  -0.01
    15   1     0.14   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.01
    16   8     0.00  -0.05   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    17   6    -0.00   0.00  -0.00    -0.00   0.00  -0.05    -0.00  -0.00   0.00
    18   6     0.00  -0.00   0.00    -0.01   0.00   0.00     0.04  -0.00  -0.01
    19   6     0.00  -0.00   0.00    -0.00   0.01   0.00    -0.02   0.03   0.01
    20   1    -0.01  -0.00   0.01     0.44  -0.29   0.13    -0.02   0.01  -0.00
    21   1     0.00  -0.01  -0.00    -0.44  -0.28   0.15     0.03   0.02  -0.01
    22   1     0.01  -0.00   0.01     0.01   0.53   0.30    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00     0.00   0.03   0.01     0.00  -0.23  -0.07
    24   1     0.01   0.01  -0.00     0.04  -0.03   0.03    -0.34   0.25  -0.27
    25   1    -0.00  -0.00   0.00     0.02  -0.00  -0.07    -0.11   0.03   0.45
    26   1    -0.00   0.00  -0.00    -0.04  -0.02   0.01    -0.20  -0.11   0.03
    27   1    -0.00   0.00   0.00     0.03   0.00  -0.11     0.10   0.01  -0.44
    28   1     0.00  -0.00  -0.00     0.07  -0.04   0.05     0.34  -0.22   0.23
    29   6     0.00   0.76  -0.08    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.03  -0.07   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8    -0.03  -0.48   0.05     0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.05  -0.17  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.12   0.25  -0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   1     0.05  -0.15   0.09     0.00   0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3040.1271              3054.5447              3055.9499
 Red. masses --      1.0402                 1.0366                 1.0609
 Frc consts  --      5.6643                 5.6983                 5.8374
 IR Inten    --     51.8768                 2.5299                29.8673
 RamAct Fr= 1--    327.1978               170.0621                73.6818
  Dep-P Fr= 1--      0.0318                 0.0048                 0.3164
  Dep-U Fr= 1--      0.0617                 0.0095                 0.4807
 Alpha2 Fr= 1--      6.7481                 3.7372                 0.7191
 Beta2  Fr= 1--      3.3622                 0.2698                 5.9035
 AlphaG Fr= 1--     -0.1114                 0.0280                -0.0149
 Gamma2 Fr= 1--      0.0024                 0.0531                -3.5463
 Delta2 Fr= 1--      2.1392                -0.1373                -2.8930
 Raman1 Fr= 1--    1308.791                680.249                294.727
 ROA1   Fr= 1--      68.683                  0.703               -433.025
 CID1   Fr= 1--       0.052                  0.001                 -1.469
 Raman2 Fr= 1--      40.346                  3.238                 70.842
 ROA2   Fr= 1--     -17.056                  2.372                -61.968
 CID2   Fr= 1--      -0.423                  0.733                 -0.875
 Raman3 Fr= 1--      80.693                  6.475                141.684
 ROA3   Fr= 1--      68.683                  0.703               -433.025
 CID3   Fr= 1--       0.851                  0.109                 -3.056
 RC180  Fr= 1--      -0.877                 -0.981                 -0.039
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.03  -0.05
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.02  -0.01
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   1     0.03   0.01   0.01     0.00   0.00   0.00     0.58   0.26   0.14
     8   1    -0.02   0.00   0.02    -0.00   0.00   0.00    -0.46   0.14   0.48
     9   1    -0.02   0.01   0.00     0.00  -0.00  -0.00     0.11  -0.05  -0.01
    10   1     0.03   0.03  -0.02     0.00  -0.00  -0.00    -0.16  -0.15   0.09
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.03  -0.02   0.03    -0.00   0.00  -0.00    -0.12   0.10  -0.15
    13   1    -0.00  -0.02   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    14   1    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    15   1    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   8     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.04  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    19   6     0.02  -0.03  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.09  -0.06   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1    -0.08  -0.05   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.09   0.05     0.00   0.00   0.00     0.00   0.02   0.01
    23   1     0.00  -0.22  -0.06    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    24   1    -0.32   0.24  -0.26    -0.00   0.00  -0.00     0.02  -0.01   0.01
    25   1    -0.10   0.03   0.41    -0.00   0.00   0.00     0.00   0.00  -0.01
    26   1     0.21   0.12  -0.03     0.00   0.00  -0.00     0.00   0.00  -0.00
    27   1    -0.10  -0.01   0.44    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.35   0.23  -0.24    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00   0.00    -0.02   0.04  -0.00     0.00  -0.00   0.00
    31   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.00  -0.00    -0.02  -0.32   0.54     0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.35   0.22  -0.03    -0.00  -0.00   0.00
    34   1     0.00   0.00   0.00    -0.05  -0.42  -0.51     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3067.5574              3069.4327              3080.4378
 Red. masses --      1.0702                 1.0676                 1.1012
 Frc consts  --      5.9336                 5.9263                 6.1567
 IR Inten    --     34.6101                11.7044                 1.3800
 RamAct Fr= 1--    103.8764                56.8465                 4.4997
  Dep-P Fr= 1--      0.0745                 0.3622                 0.5378
  Dep-U Fr= 1--      0.1386                 0.5318                 0.6994
 Alpha2 Fr= 1--      1.9350                 0.4795                 0.0184
 Beta2  Fr= 1--      2.4004                 5.0386                 0.5245
 AlphaG Fr= 1--      0.0585                -0.0258                 0.0663
 Gamma2 Fr= 1--      4.9846                 9.0112                -8.0114
 Delta2 Fr= 1--      3.7054                 3.0934                -5.1565
 Raman1 Fr= 1--     415.506                227.386                 17.999
 ROA1   Fr= 1--     597.092                964.064               -934.108
 CID1   Fr= 1--       1.437                  4.240                -51.898
 Raman2 Fr= 1--      28.805                 60.463                  6.294
 ROA2   Fr= 1--      89.986                191.521               -151.022
 CID2   Fr= 1--       3.124                  3.168                -23.993
 Raman3 Fr= 1--      57.609                120.927                 12.589
 ROA3   Fr= 1--     597.092                964.064               -934.108
 CID3   Fr= 1--      10.364                  7.972                -74.200
 RC180  Fr= 1--      -0.723                  0.064                  0.399
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01  -0.00   0.01     0.00   0.00  -0.00
     2   6    -0.03  -0.06   0.03    -0.00  -0.01   0.00    -0.00  -0.00   0.00
     3   6     0.01  -0.00   0.01     0.02  -0.02   0.03    -0.00   0.00  -0.00
     4   6    -0.01  -0.00   0.01     0.04   0.02  -0.04     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.02   0.01   0.00     0.06   0.03   0.02    -0.03  -0.01  -0.01
     8   1    -0.19   0.06   0.21     0.09  -0.03  -0.09    -0.03   0.01   0.03
     9   1    -0.27   0.12   0.02    -0.06   0.03   0.00     0.01  -0.00  -0.00
    10   1     0.59   0.55  -0.35     0.06   0.05  -0.03     0.01   0.01  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.07   0.05  -0.08    -0.25   0.21  -0.32     0.01  -0.01   0.02
    13   1     0.00   0.06  -0.00    -0.01  -0.48   0.03    -0.00  -0.03   0.00
    14   1     0.07  -0.05  -0.08    -0.43   0.29   0.49    -0.02   0.02   0.03
    15   1     0.00   0.02   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    16   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
    18   6    -0.00   0.01   0.00    -0.00   0.00  -0.00    -0.02   0.02  -0.06
    19   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.02   0.06
    20   1    -0.03   0.02  -0.01     0.01  -0.01   0.00    -0.04   0.02  -0.01
    21   1    -0.02  -0.01   0.00    -0.00   0.00  -0.00     0.12   0.07  -0.04
    22   1     0.00  -0.06  -0.04    -0.00  -0.02  -0.01     0.00   0.14   0.08
    23   1    -0.00  -0.04  -0.01    -0.00  -0.02  -0.01    -0.00  -0.01  -0.02
    24   1     0.03  -0.02   0.03     0.00  -0.00   0.00     0.33  -0.24   0.25
    25   1     0.01  -0.00  -0.04    -0.00   0.00   0.01    -0.13   0.04   0.48
    26   1    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.00  -0.01   0.02
    27   1    -0.00   0.00   0.00    -0.01   0.00   0.01     0.12  -0.00  -0.47
    28   1     0.01  -0.01   0.01     0.03  -0.02   0.02    -0.35   0.23  -0.23
    29   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    34   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3081.7172              3086.5526              3088.2269
 Red. masses --      1.0833                 1.1003                 1.1005
 Frc consts  --      6.0618                 6.1762                 6.1836
 IR Inten    --     37.5755                61.2116                30.9320
 RamAct Fr= 1--    248.0265                28.9255               106.6550
  Dep-P Fr= 1--      0.0637                 0.7380                 0.3824
  Dep-U Fr= 1--      0.1198                 0.8493                 0.5532
 Alpha2 Fr= 1--      4.7411                 0.0059                 0.8403
 Beta2  Fr= 1--      4.9539                 4.0943                 9.8343
 AlphaG Fr= 1--     -0.0406                 0.0034                -0.4519
 Gamma2 Fr= 1--      7.6204                15.6596               -20.9159
 Delta2 Fr= 1--      1.9257                 2.2322                -2.5186
 Raman1 Fr= 1--     992.106                115.702                426.620
 ROA1   Fr= 1--     793.185               1574.754              -2088.523
 CID1   Fr= 1--       0.799                 13.610                 -4.896
 Raman2 Fr= 1--      59.447                 49.132                118.012
 ROA2   Fr= 1--     167.485                357.974               -481.833
 CID2   Fr= 1--       2.817                  7.286                 -4.083
 Raman3 Fr= 1--     118.894                 98.264                236.023
 ROA3   Fr= 1--     793.185               1574.754              -2088.523
 CID3   Fr= 1--       6.671                 16.026                 -8.849
 RC180  Fr= 1--      -0.760                  0.699                  0.106
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.02     0.01   0.00  -0.00    -0.08  -0.01   0.02
     2   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
     3   6    -0.04   0.03  -0.05    -0.00   0.00  -0.01    -0.01   0.01  -0.02
     4   6     0.02   0.00  -0.03     0.00   0.00  -0.00     0.00  -0.01  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.01  -0.00  -0.01    -0.09  -0.04  -0.03     0.63   0.29   0.18
     8   1    -0.21   0.07   0.23    -0.07   0.03   0.08     0.33  -0.12  -0.37
     9   1     0.05  -0.03  -0.00     0.04  -0.02  -0.00    -0.27   0.13   0.01
    10   1     0.06   0.06  -0.03    -0.01  -0.01   0.01     0.06   0.05  -0.03
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.44  -0.36   0.54     0.06  -0.05   0.07     0.15  -0.12   0.18
    13   1    -0.01  -0.20   0.01    -0.00  -0.02   0.00     0.00   0.10  -0.01
    14   1    -0.27   0.18   0.30    -0.02   0.02   0.03    -0.01   0.01   0.02
    15   1     0.00   0.02   0.01     0.00   0.01   0.01     0.01   0.03   0.02
    16   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    17   6     0.01  -0.00   0.00    -0.03   0.04   0.00    -0.01   0.01   0.00
    18   6     0.00  -0.00   0.01    -0.01   0.01  -0.05    -0.00   0.01  -0.01
    19   6    -0.00   0.00   0.01    -0.02   0.01  -0.04     0.00   0.00  -0.00
    20   1    -0.05   0.03  -0.02     0.37  -0.24   0.12     0.06  -0.04   0.02
    21   1    -0.03  -0.02   0.01     0.06   0.05  -0.02     0.00   0.00  -0.00
    22   1     0.00  -0.00  -0.00    -0.01  -0.27  -0.15    -0.00  -0.07  -0.04
    23   1     0.00   0.01   0.01    -0.00   0.01  -0.01    -0.00  -0.07  -0.02
    24   1    -0.04   0.03  -0.03     0.28  -0.20   0.21     0.07  -0.05   0.05
    25   1     0.03  -0.01  -0.12    -0.12   0.03   0.42    -0.01   0.01   0.03
    26   1    -0.01  -0.00   0.00     0.01   0.01  -0.01    -0.03  -0.02   0.00
    27   1     0.02  -0.00  -0.07    -0.09   0.00   0.36    -0.00   0.00   0.01
    28   1    -0.00   0.00  -0.00     0.28  -0.18   0.18     0.01  -0.01   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3089.2548              3092.8392              3099.9202
 Red. masses --      1.1004                 1.1006                 1.0889
 Frc consts  --      6.1874                 6.2028                 6.1650
 IR Inten    --     20.0936                27.1032                 9.1174
 RamAct Fr= 1--    142.8855                73.6348                52.4396
  Dep-P Fr= 1--      0.6940                 0.6503                 0.3497
  Dep-U Fr= 1--      0.8194                 0.7881                 0.5182
 Alpha2 Fr= 1--      0.1400                 0.1318                 0.4608
 Beta2  Fr= 1--     19.5123                 9.6720                 4.5291
 AlphaG Fr= 1--     -0.0906                 0.0851                 0.5052
 Gamma2 Fr= 1--    -22.5115                18.7716               -16.8961
 Delta2 Fr= 1--     -9.4076                 9.5661               -10.7904
 Raman1 Fr= 1--     571.542                294.539                209.759
 ROA1   Fr= 1--   -2462.145               2108.188              -1967.317
 CID1   Fr= 1--      -4.308                  7.158                 -9.379
 Raman2 Fr= 1--     234.147                116.064                 54.349
 ROA2   Fr= 1--    -465.014                373.989               -319.183
 CID2   Fr= 1--      -1.986                  3.222                 -5.873
 Raman3 Fr= 1--     468.295                232.128                108.698
 ROA3   Fr= 1--   -2462.145               2108.188              -1967.317
 CID3   Fr= 1--      -5.258                  9.082                -18.099
 RC180  Fr= 1--       0.639                  0.576                  0.036
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.01
     5   6     0.00   0.01   0.01     0.00   0.01   0.01    -0.02  -0.06  -0.05
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   1     0.03   0.02   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   1     0.01  -0.01  -0.02    -0.01   0.00   0.01     0.01  -0.00  -0.01
     9   1    -0.02   0.01   0.00    -0.06   0.03   0.00    -0.00   0.00  -0.00
    10   1     0.02   0.02  -0.01     0.03   0.03  -0.02    -0.01  -0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.03  -0.02   0.03     0.01  -0.01   0.01     0.01  -0.01   0.02
    13   1     0.00   0.02  -0.00     0.00   0.03  -0.00    -0.01  -0.30   0.02
    14   1    -0.01   0.01   0.01    -0.02   0.01   0.02     0.12  -0.07  -0.13
    15   1    -0.02  -0.09  -0.07    -0.02  -0.10  -0.08     0.16   0.71   0.53
    16   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   6     0.03  -0.07  -0.01    -0.08  -0.04  -0.00    -0.01  -0.01  -0.00
    18   6    -0.01   0.01  -0.02     0.00  -0.01   0.02     0.00   0.00   0.00
    19   6    -0.02   0.01  -0.04    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    20   1    -0.46   0.29  -0.15     0.30  -0.22   0.10    -0.01   0.00  -0.00
    21   1     0.06   0.02  -0.02     0.65   0.41  -0.23     0.09   0.05  -0.03
    22   1     0.02   0.50   0.29    -0.01   0.30   0.18     0.00   0.12   0.07
    23   1    -0.00  -0.02  -0.01     0.00   0.01   0.01     0.00  -0.00  -0.00
    24   1     0.14  -0.10   0.11    -0.09   0.07  -0.07    -0.00   0.00  -0.00
    25   1    -0.06   0.02   0.20     0.05  -0.01  -0.18     0.00  -0.00  -0.00
    26   1     0.04   0.03  -0.02     0.01   0.01  -0.00    -0.11  -0.07   0.02
    27   1    -0.09   0.00   0.34    -0.00  -0.00   0.01    -0.02   0.00   0.09
    28   1     0.25  -0.16   0.16     0.01  -0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3112.1729              3113.4638              3118.5311
 Red. masses --      1.0997                 1.1009                 1.0989
 Frc consts  --      6.2755                 6.2879                 6.2965
 IR Inten    --      5.1083                16.7982                47.2973
 RamAct Fr= 1--     48.1256                64.4805                60.5528
  Dep-P Fr= 1--      0.7484                 0.3263                 0.5440
  Dep-U Fr= 1--      0.8561                 0.4920                 0.7046
 Alpha2 Fr= 1--      0.0013                 0.6103                 0.2394
 Beta2  Fr= 1--      6.8666                 5.2878                 7.1112
 AlphaG Fr= 1--      0.0037                 0.9199                 0.0205
 Gamma2 Fr= 1--      4.0291                 8.1260                 9.6283
 Delta2 Fr= 1--      3.3096                 2.5521                 4.8735
 Raman1 Fr= 1--     192.502                257.922                242.211
 ROA1   Fr= 1--     492.696                861.763               1080.274
 CID1   Fr= 1--       2.559                  3.341                  4.460
 Raman2 Fr= 1--      82.399                 63.454                 85.335
 ROA2   Fr= 1--      70.220                174.607                192.092
 CID2   Fr= 1--       0.852                  2.752                  2.251
 Raman3 Fr= 1--     164.798                126.908                170.670
 ROA3   Fr= 1--     492.696                861.763               1080.274
 CID3   Fr= 1--       2.990                  6.790                  6.330
 RC180  Fr= 1--       0.712                 -0.016                  0.409
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
     2   6     0.00  -0.00  -0.00    -0.02   0.01   0.00    -0.08   0.01   0.01
     3   6    -0.00   0.00  -0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.02  -0.07  -0.02    -0.01   0.02   0.01
     5   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.00   0.01   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.15   0.07   0.05
     8   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14  -0.05  -0.15
     9   1    -0.01   0.00   0.00     0.22  -0.11  -0.01     0.76  -0.38  -0.03
    10   1    -0.00  -0.00   0.00     0.04   0.04  -0.03     0.20   0.21  -0.13
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.00   0.00    -0.06   0.05  -0.07     0.01  -0.01   0.02
    13   1    -0.00  -0.03   0.00     0.03   0.72  -0.06    -0.01  -0.17   0.01
    14   1     0.01  -0.00  -0.01    -0.27   0.16   0.31     0.08  -0.05  -0.09
    15   1    -0.00  -0.01  -0.01     0.05   0.22   0.16    -0.01  -0.06  -0.04
    16   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00   0.01   0.01
    19   6    -0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.02  -0.02   0.01
    21   1     0.00   0.00  -0.00     0.01   0.01  -0.00     0.03   0.02  -0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00   0.01   0.00
    23   1     0.00   0.00   0.00    -0.00  -0.06  -0.02    -0.00  -0.16  -0.05
    24   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.03  -0.02   0.02
    25   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.05
    26   1     0.01   0.01  -0.00    -0.28  -0.17   0.04     0.06   0.04  -0.01
    27   1     0.00  -0.00  -0.00    -0.02   0.00   0.10     0.00  -0.00  -0.02
    28   1     0.00  -0.00   0.00    -0.05   0.04  -0.04     0.02  -0.01   0.01
    29   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.01  -0.09     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.02  -0.39   0.60    -0.00  -0.01   0.02     0.00  -0.00   0.00
    33   1     0.03   0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.05   0.46   0.52     0.00   0.02   0.02     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3129.5554              3131.1019              3159.5195
 Red. masses --      1.0947                 1.0953                 1.1027
 Frc consts  --      6.3170                 6.3269                 6.4854
 IR Inten    --     26.4264                23.3661                 8.1023
 RamAct Fr= 1--     54.7439                54.0421                73.4181
  Dep-P Fr= 1--      0.3795                 0.6017                 0.5959
  Dep-U Fr= 1--      0.5502                 0.7514                 0.7468
 Alpha2 Fr= 1--      0.4356                 0.1482                 0.2101
 Beta2  Fr= 1--      5.0204                 6.7674                 9.1376
 AlphaG Fr= 1--      0.3631                 0.0435                -0.0432
 Gamma2 Fr= 1--     -2.6082                 2.1349                -1.3158
 Delta2 Fr= 1--      0.4290                -0.8673                -0.7401
 Raman1 Fr= 1--     218.975                216.168                293.672
 ROA1   Fr= 1--    -236.658                177.197               -150.003
 CID1   Fr= 1--      -1.081                  0.820                 -0.511
 Raman2 Fr= 1--      60.245                 81.209                109.651
 ROA2   Fr= 1--     -66.029                 58.176                -25.659
 CID2   Fr= 1--      -1.096                  0.716                 -0.234
 Raman3 Fr= 1--     120.489                162.418                219.302
 ROA3   Fr= 1--    -236.658                177.197               -150.003
 CID3   Fr= 1--      -1.964                  1.091                 -0.684
 RC180  Fr= 1--       0.100                  0.503                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.02  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1     0.00   0.00   0.00     0.10   0.04   0.03    -0.00  -0.00  -0.00
     8   1     0.00   0.00  -0.00     0.03  -0.01  -0.04    -0.00   0.00   0.00
     9   1     0.01  -0.01  -0.00     0.11  -0.06  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00     0.08   0.08  -0.05    -0.00  -0.00   0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.01   0.27  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.07   0.04   0.08    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.05   0.21   0.16    -0.00  -0.00  -0.00     0.00   0.01   0.00
    16   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01  -0.08  -0.03     0.00  -0.00  -0.00
    19   6    -0.07  -0.03   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.00   0.00   0.00
    23   1     0.00   0.04   0.01     0.02   0.89   0.25     0.00   0.00   0.00
    24   1    -0.01   0.00  -0.00    -0.14   0.09  -0.12    -0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.05  -0.00   0.22    -0.00   0.00   0.00
    26   1     0.74   0.44  -0.11    -0.04  -0.02   0.01     0.00   0.00  -0.00
    27   1     0.04  -0.00  -0.22    -0.00   0.00   0.01    -0.00  -0.00   0.00
    28   1     0.12  -0.10   0.10    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.06   0.01
    31   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.15  -0.26
    33   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.78   0.46  -0.06
    34   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.16   0.21

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  8 and mass  15.99491
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  8 and mass  15.99491
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Molecular mass:   196.14633 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1396.385173819.652813882.59467
           X            0.99982  -0.01825  -0.00573
           Y            0.01847   0.99900   0.04084
           Z            0.00498  -0.04094   0.99915
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06203     0.02268     0.02231
 Rotational constants (GHZ):           1.29244     0.47249     0.46483
 Zero-point vibrational energy     793809.7 (Joules/Mol)
                                  189.72508 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     58.26    72.15   105.19   139.51   213.80
          (Kelvin)            281.91   315.99   321.43   338.48   343.69
                              349.87   387.40   478.08   503.26   524.92
                              581.48   622.29   684.77   741.47   758.85
                              839.84   854.83   893.19   925.82   954.29
                             1080.17  1151.59  1202.02  1222.65  1290.89
                             1327.73  1340.68  1370.33  1380.40  1386.64
                             1401.47  1436.72  1450.32  1473.14  1509.37
                             1522.05  1537.22  1541.24  1593.55  1638.71
                             1673.99  1687.81  1714.21  1763.08  1777.54
                             1805.62  1815.66  1828.34  1847.44  1882.05
                             1889.57  1923.20  1930.97  1961.31  2010.17
                             2023.53  2033.00  2042.42  2058.54  2117.27
                             2126.66  2136.50  2141.96  2153.14  2158.87
                             2162.60  2170.04  2177.49  2191.46  2199.08
                             2573.86  4359.09  4364.62  4374.06  4394.81
                             4396.83  4413.53  4416.23  4432.06  4433.90
                             4440.86  4443.27  4444.75  4449.91  4460.09
                             4477.72  4479.58  4486.87  4502.73  4504.96
                             4545.84
 
 Zero-point correction=                           0.302346 (Hartree/Particle)
 Thermal correction to Energy=                    0.316883
 Thermal correction to Enthalpy=                  0.317827
 Thermal correction to Gibbs Free Energy=         0.261350
 Sum of electronic and zero-point Energies=           -619.787303
 Sum of electronic and thermal Energies=              -619.772766
 Sum of electronic and thermal Enthalpies=            -619.771822
 Sum of electronic and thermal Free Energies=         -619.828299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  198.847             56.782            118.866
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.726
 Rotational               0.889              2.981             31.405
 Vibrational            197.069             50.820             45.735
 Vibration     1          0.594              1.981              5.235
 Vibration     2          0.595              1.978              4.812
 Vibration     3          0.599              1.967              4.068
 Vibration     4          0.603              1.951              3.514
 Vibration     5          0.618              1.904              2.690
 Vibration     6          0.636              1.846              2.171
 Vibration     7          0.647              1.811              1.962
 Vibration     8          0.649              1.805              1.931
 Vibration     9          0.655              1.787              1.838
 Vibration    10          0.657              1.781              1.811
 Vibration    11          0.659              1.774              1.780
 Vibration    12          0.674              1.730              1.601
 Vibration    13          0.714              1.611              1.249
 Vibration    14          0.727              1.576              1.167
 Vibration    15          0.738              1.545              1.101
 Vibration    16          0.769              1.461              0.948
 Vibration    17          0.793              1.399              0.850
 Vibration    18          0.833              1.303              0.721
 Vibration    19          0.870              1.216              0.621
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.941              1.067              0.479
 Vibration    22          0.952              1.044              0.460
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.612970-120       -120.212561       -276.799651
 Total V=0       0.719272D+19         18.856893         43.419601
 Vib (Bot)       0.348493-134       -134.457806       -309.600540
 Vib (Bot)    1  0.510908D+01          0.708343          1.631019
 Vib (Bot)    2  0.412232D+01          0.615142          1.416416
 Vib (Bot)    3  0.281962D+01          0.450191          1.036603
 Vib (Bot)    4  0.211768D+01          0.325861          0.750322
 Vib (Bot)    5  0.136507D+01          0.135156          0.311208
 Vib (Bot)    6  0.101921D+01          0.008263          0.019025
 Vib (Bot)    7  0.900794D+00         -0.045375         -0.104479
 Vib (Bot)    8  0.884127D+00         -0.053485         -0.123155
 Vib (Bot)    9  0.835262D+00         -0.078177         -0.180010
 Vib (Bot)   10  0.821260D+00         -0.085519         -0.196915
 Vib (Bot)   11  0.805185D+00         -0.094104         -0.216683
 Vib (Bot)   12  0.718022D+00         -0.143862         -0.331255
 Vib (Bot)   13  0.561525D+00         -0.250631         -0.577099
 Vib (Bot)   14  0.527548D+00         -0.277738         -0.639515
 Vib (Bot)   15  0.500758D+00         -0.300372         -0.691632
 Vib (Bot)   16  0.439674D+00         -0.356869         -0.821722
 Vib (Bot)   17  0.402063D+00         -0.395706         -0.911146
 Vib (Bot)   18  0.352624D+00         -0.452688         -1.042352
 Vib (Bot)   19  0.314547D+00         -0.502314         -1.156621
 Vib (Bot)   20  0.303949D+00         -0.517200         -1.190897
 Vib (Bot)   21  0.260084D+00         -0.584887         -1.346752
 Vib (Bot)   22  0.252838D+00         -0.597157         -1.375005
 Vib (V=0)       0.408929D+05          4.611648         10.618711
 Vib (V=0)    1  0.563349D+01          0.750777          1.728729
 Vib (V=0)    2  0.465253D+01          0.667689          1.537411
 Vib (V=0)    3  0.336361D+01          0.526806          1.213016
 Vib (V=0)    4  0.267591D+01          0.427471          0.984289
 Vib (V=0)    5  0.195376D+01          0.290872          0.669757
 Vib (V=0)    6  0.163525D+01          0.213583          0.491793
 Vib (V=0)    7  0.153026D+01          0.184764          0.425436
 Vib (V=0)    8  0.151572D+01          0.180618          0.415888
 Vib (V=0)    9  0.147348D+01          0.168344          0.387627
 Vib (V=0)   10  0.146149D+01          0.164797          0.379458
 Vib (V=0)   11  0.144780D+01          0.160708          0.370044
 Vib (V=0)   12  0.137496D+01          0.138290          0.318425
 Vib (V=0)   13  0.125187D+01          0.097560          0.224639
 Vib (V=0)   14  0.122685D+01          0.088791          0.204448
 Vib (V=0)   15  0.120764D+01          0.081939          0.188670
 Vib (V=0)   16  0.116582D+01          0.066631          0.153423
 Vib (V=0)   17  0.114160D+01          0.057515          0.132434
 Vib (V=0)   18  0.111184D+01          0.046041          0.106013
 Vib (V=0)   19  0.109071D+01          0.037710          0.086830
 Vib (V=0)   20  0.108514D+01          0.035484          0.081706
 Vib (V=0)   21  0.106360D+01          0.026778          0.061658
 Vib (V=0)   22  0.106029D+01          0.025426          0.058544
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.107975D+09          8.033324         18.497412
 Rotational      0.162900D+07          6.211921         14.303477
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003658   -0.000030212    0.000030968
      2        6           0.000045933    0.000052805   -0.000016391
      3        6           0.000039962   -0.000010728   -0.000036515
      4        6          -0.000024666    0.000004330    0.000019804
      5        6          -0.000002967    0.000008917   -0.000008026
      6        6          -0.000024684   -0.000003066    0.000018762
      7        1          -0.000009513   -0.000000794    0.000007121
      8        1          -0.000002990    0.000005735   -0.000000916
      9        1          -0.000003299   -0.000001636   -0.000000715
     10        1           0.000017438   -0.000005908    0.000009608
     11        6          -0.000003130    0.000007243   -0.000000823
     12        1           0.000001796    0.000000935    0.000000154
     13        1          -0.000010275   -0.000000686    0.000003118
     14        1           0.000008383    0.000012014   -0.000004338
     15        1           0.000010641   -0.000008644    0.000006920
     16        8           0.000003050    0.000005576    0.000000306
     17        6          -0.000000850   -0.000004895    0.000004071
     18        6          -0.000002085   -0.000000929   -0.000003366
     19        6          -0.000012641    0.000004187    0.000003525
     20        1          -0.000002560   -0.000003375   -0.000003891
     21        1          -0.000005237    0.000004698   -0.000005056
     22        1           0.000002549    0.000002740    0.000018171
     23        1          -0.000030007   -0.000006092   -0.000015144
     24        1          -0.000004024   -0.000000771    0.000001911
     25        1           0.000000631   -0.000003244    0.000012150
     26        1          -0.000009647   -0.000000111   -0.000014774
     27        1           0.000015622   -0.000017526   -0.000017407
     28        1           0.000000706   -0.000000670   -0.000000158
     29        6           0.000000814   -0.000000621    0.000002331
     30        6          -0.000000489   -0.000001502   -0.000001684
     31        8           0.000000398   -0.000001563   -0.000003978
     32        1          -0.000000299   -0.000000843   -0.000001680
     33        1          -0.000000161   -0.000002112   -0.000002781
     34        1          -0.000002058   -0.000003252   -0.000001275
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000052805 RMS     0.000012848
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.162103D+03 -0.184154D+01 -0.777433D+00
      2  -0.184154D+01  0.137130D+03 -0.398622D+00
      3  -0.777433D+00 -0.398622D+00  0.131341D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.252305D+00  0.110291D+01  0.751305D+01
      2  -0.224201D+00 -0.429655D+01 -0.486523D+02
      3  -0.590206D+01  0.229008D+02  0.357484D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.143360D+02  0.532737D+01 -0.521969D+00
      2   0.114560D+02  0.488173D+01 -0.112665D+02
      3   0.287993D+01 -0.102091D+02  0.117885D+02
      4  -0.862659D+01 -0.519228D+02 -0.128432D+02
      5   0.662805D+01 -0.118717D+02 -0.101709D+03
      6  -0.512808D+01  0.118866D+01 -0.317152D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.283820D+01  0.289744D+01  0.329595D+01  0.241711D+01  0.711568D+00
      2   0.289744D+01  0.922138D+00  0.324511D+00  0.711568D+00 -0.318586D+01
      3   0.329595D+01  0.324511D+00 -0.347512D+01  0.698398D+00 -0.641272D-01
                 6             7             8             9            10 
      1   0.698398D+00  0.189926D+01  0.535972D+00 -0.306019D+01 -0.246780D+01
      2  -0.641272D-01  0.535972D+00  0.463871D-01  0.267106D+01  0.395557D+01
      3   0.261958D+01 -0.306019D+01  0.267106D+01  0.221876D+00 -0.129277D+01
                11            12            13            14            15 
      1   0.395557D+01 -0.129277D+01  0.347390D+01  0.517652D-01 -0.136942D+01
      2   0.763248D-01 -0.143083D+01  0.517652D-01  0.340481D+00 -0.303809D+01
      3  -0.143083D+01  0.192759D+01 -0.136942D+01 -0.303809D+01 -0.251015D+01
                16            17            18            19            20 
      1  -0.633470D+00 -0.166097D+01  0.140346D+01 -0.129855D+01 -0.350557D+01
      2  -0.166097D+01 -0.271930D+01 -0.165313D+01 -0.350557D+01  0.351467D+00
      3   0.140346D+01 -0.165313D+01  0.194242D+01  0.242067D+00 -0.121140D+01
                21            22            23            24            25 
      1   0.242067D+00 -0.375788D+01  0.427889D+00 -0.147639D+01 -0.333554D+00
      2  -0.121140D+01  0.427889D+00  0.362766D+01  0.195702D+01 -0.118941D+01
      3   0.460657D+01 -0.147639D+01  0.195702D+01 -0.243515D+01  0.561161D+01
                26            27            28            29            30 
      1  -0.118941D+01  0.561161D+01  0.863438D+00  0.194017D+01  0.141347D+01
      2   0.106963D+01 -0.325009D+01  0.194017D+01 -0.281119D+00  0.132107D+00
      3  -0.325009D+01 -0.120353D+01  0.141347D+01  0.132107D+00 -0.343834D+01
                31            32            33            34            35 
      1   0.255950D+01 -0.805379D+00 -0.127604D+00  0.132728D-02  0.367670D+00
      2  -0.805379D+00 -0.490820D+01  0.108856D+01  0.367670D+00  0.394893D+00
      3  -0.127604D+00  0.108856D+01  0.229683D+01 -0.366941D+01  0.191947D+01
                36            37            38            39            40 
      1  -0.366941D+01 -0.385141D+01  0.131999D+01 -0.129360D+01  0.230812D+01
      2   0.191947D+01  0.131999D+01  0.673041D+00 -0.100688D+01  0.593628D-02
      3  -0.654868D+00 -0.129360D+01 -0.100688D+01  0.276108D+01 -0.118519D+01
                41            42            43            44            45 
      1   0.593628D-02 -0.118519D+01  0.407361D+00 -0.880431D+00  0.157980D+01
      2  -0.909026D+00 -0.220691D+01 -0.880431D+00 -0.147146D+01 -0.168222D+01
      3  -0.220691D+01 -0.274574D+01  0.157980D+01 -0.168222D+01  0.160978D+01
                46            47            48            49            50 
      1   0.204126D+01 -0.471830D+01  0.321142D+01 -0.609216D+01  0.105314D+01
      2  -0.471830D+01  0.115608D+01  0.444228D+00  0.105314D+01  0.523357D+00
      3   0.321142D+01  0.444228D+00  0.456303D+00  0.419915D+00  0.376791D+01
                51            52            53            54            55 
      1   0.419915D+00  0.346762D+01 -0.168352D-01  0.142052D+00 -0.572776D+01
      2   0.376791D+01 -0.168352D-01  0.416176D+01  0.159839D+01 -0.266914D+01
      3   0.137814D+01  0.142052D+00  0.159839D+01 -0.306857D+01 -0.273690D+01
                56            57            58            59            60 
      1  -0.266914D+01 -0.273690D+01 -0.214845D+01 -0.203779D+01 -0.110714D+01
      2  -0.246431D+01 -0.147942D+01 -0.203779D+01 -0.206696D+01 -0.127770D+01
      3  -0.147942D+01 -0.220492D+01 -0.110714D+01 -0.127770D+01 -0.146790D+01
                61            62            63            64            65 
      1  -0.171430D+01 -0.964806D+00 -0.152588D+01  0.201144D+01 -0.124112D+01
      2  -0.964806D+00 -0.910574D+00 -0.140484D+01 -0.124112D+01  0.134890D+01
      3  -0.152588D+01 -0.140484D+01 -0.205419D+01 -0.245942D+01  0.123980D+01
                66            67            68            69            70 
      1  -0.245942D+01 -0.704675D+00  0.717050D+00  0.417099D+00 -0.170816D+01
      2   0.123980D+01  0.717050D+00 -0.109888D+01 -0.153728D+01  0.616084D+00
      3   0.363468D+01  0.417099D+00 -0.153728D+01 -0.168606D+01  0.221650D+01
                71            72            73            74            75 
      1   0.616084D+00  0.221650D+01  0.551446D+01 -0.287008D+01  0.271087D+00
      2  -0.167979D+01 -0.233186D+01 -0.287008D+01  0.322764D+01  0.275285D+00
      3  -0.233186D+01 -0.635818D+01  0.271087D+00  0.275285D+00  0.867368D+00
                76            77            78            79            80 
      1  -0.212247D+01  0.219402D+01  0.222143D+00  0.103031D+00  0.215065D+00
      2   0.219402D+01 -0.335081D+01  0.248334D+00  0.215065D+00  0.246443D+00
      3   0.222143D+00  0.248334D+00 -0.342979D+00  0.741265D+00 -0.619500D+00
                81            82            83            84            85 
      1   0.741265D+00 -0.245630D+01 -0.235452D+01  0.887182D+00 -0.199124D+01
      2  -0.619500D+00 -0.235452D+01 -0.290000D+01  0.907158D+00 -0.213626D+01
      3  -0.159786D+00  0.887182D+00  0.907158D+00 -0.140516D+01  0.645547D+00
                86            87            88            89            90 
      1  -0.213626D+01  0.645547D+00  0.882766D+00  0.984062D+00 -0.107669D+01
      2  -0.526663D+01  0.170345D+01  0.984062D+00  0.223219D+01 -0.128558D+01
      3   0.170345D+01 -0.103906D+01 -0.107669D+01 -0.128558D+01  0.130307D+01
                91            92            93            94            95 
      1  -0.128341D+01  0.545152D+01 -0.208038D+01  0.639728D+01 -0.663555D+00
      2   0.545152D+01 -0.139540D+01  0.863648D+00 -0.663555D+00 -0.329966D+01
      3  -0.208038D+01  0.863648D+00 -0.416758D+01  0.106461D+01 -0.327973D+01
                96            97            98            99           100 
      1   0.106461D+01 -0.164152D+01  0.788737D+00 -0.408338D+01 -0.331369D+01
      2  -0.327973D+01  0.788737D+00 -0.290862D+01  0.107218D+01  0.181925D+01
      3   0.125048D+01 -0.408338D+01  0.107218D+01  0.469084D+01 -0.269713D+01
               101           102           103           104           105 
      1   0.181925D+01 -0.269713D+01  0.182261D+01 -0.142359D+01  0.122870D+01
      2  -0.131082D+01  0.121295D+01 -0.142359D+01  0.197699D+01 -0.229845D+01
      3   0.121295D+01 -0.321529D+01  0.122870D+01 -0.229845D+01  0.247233D+01
               106           107           108           109           110 
      1  -0.200522D+01  0.882550D+00 -0.303864D+01  0.362558D+00  0.105681D+01
      2   0.882550D+00 -0.173526D+01  0.225462D+01  0.105681D+01  0.477095D+00
      3  -0.303864D+01  0.225462D+01 -0.575564D+01 -0.352968D+00 -0.155597D+00
               111           112           113           114           115 
      1  -0.352968D+00  0.140009D+01  0.881581D+00 -0.217877D+00 -0.386363D-01
      2  -0.155597D+00  0.881581D+00  0.784601D+01 -0.202228D+01 -0.129747D+00
      3   0.356958D+00 -0.217877D+00 -0.202228D+01  0.162851D+01  0.493383D+00
               116           117           118           119           120 
      1  -0.129747D+00  0.493383D+00  0.376991D+01 -0.526315D+00 -0.233310D+01
      2  -0.109217D+01  0.119209D+01 -0.526315D+00  0.553642D+00  0.113947D+00
      3   0.119209D+01 -0.810549D+00 -0.233310D+01  0.113947D+00  0.279991D+01
               121           122           123           124           125 
      1  -0.160477D+01  0.632249D+00  0.710229D+00 -0.262354D+01  0.500739D-01
      2   0.632249D+00 -0.604847D-01 -0.997768D+00  0.500739D-01 -0.886843D+00
      3   0.710229D+00 -0.997768D+00 -0.156369D+01  0.270472D+01 -0.476030D+00
               126           127           128           129           130 
      1   0.270472D+01  0.204445D+01  0.879701D+00  0.101583D+01  0.217114D+01
      2  -0.476030D+00  0.879701D+00  0.201035D+00  0.343242D+00  0.184311D+00
      3  -0.467131D+01  0.101583D+01  0.343242D+00  0.269544D+00  0.491363D+00
               131           132           133           134           135 
      1   0.184311D+00  0.491363D+00  0.141680D+01  0.447770D+00  0.232931D+00
      2   0.306273D+01  0.166508D+01  0.447770D+00  0.168632D+01  0.164338D+01
      3   0.166508D+01  0.204019D+01  0.232931D+00  0.164338D+01  0.239585D+01
               136           137           138           139           140 
      1   0.170044D+00 -0.186663D+01  0.499511D+00 -0.513519D+01  0.412045D+00
      2  -0.186663D+01 -0.135693D+01 -0.155426D+00  0.412045D+00 -0.198610D+01
      3   0.499511D+00 -0.155426D+00 -0.145838D+01  0.586051D-02  0.609964D+00
               141           142           143           144           145 
      1   0.586051D-02  0.587071D+00 -0.200874D+00 -0.358674D+00 -0.220282D+00
      2   0.609964D+00 -0.200874D+00  0.194727D+00 -0.581189D+00  0.451755D+01
      3  -0.279813D+00 -0.358674D+00 -0.581189D+00  0.307131D+00 -0.341982D+01
               146           147           148           149           150 
      1   0.451755D+01 -0.341982D+01  0.472708D+01 -0.268890D+00 -0.137161D+00
      2  -0.276469D+00 -0.146370D+00 -0.268890D+00 -0.133337D+01 -0.400596D+01
      3  -0.146370D+00 -0.238630D+00 -0.137161D+00 -0.400596D+01 -0.146383D+01
               151           152           153           154           155 
      1  -0.312291D+01  0.147338D-02 -0.218708D-01 -0.322911D-01 -0.386381D+01
      2   0.147338D-02 -0.331004D+01 -0.158226D+01 -0.386381D+01  0.589956D+00
      3  -0.218708D-01 -0.158226D+01  0.249055D+01  0.199305D+01 -0.635779D+00
               156           157           158           159           160 
      1   0.199305D+01 -0.452615D+01  0.942257D+00 -0.855708D+00  0.223868D+01
      2  -0.635779D+00  0.942257D+00  0.407984D+01  0.223268D+01 -0.787949D+00
      3   0.290888D+01 -0.855708D+00  0.223268D+01 -0.714288D+00  0.392594D+01
               161           162           163           164           165 
      1  -0.787949D+00  0.392594D+01 -0.117570D+00 -0.489610D+01  0.162601D+01
      2   0.222938D+01 -0.682637D+00 -0.489610D+01  0.484607D+00 -0.940788D+00
      3  -0.682637D+00 -0.453893D+01  0.162601D+01 -0.940788D+00  0.233222D+01
               166           167           168           169           170 
      1  -0.473976D+01 -0.256021D-01 -0.976257D+00  0.186125D+01 -0.111725D+01
      2  -0.256021D-01  0.215829D+01  0.267551D+01 -0.111725D+01  0.290298D+01
      3  -0.976257D+00  0.267551D+01 -0.396980D+00  0.286595D+01 -0.116078D+01
               171           172           173           174           175 
      1   0.286595D+01  0.461755D+01 -0.240834D+01  0.250723D+01 -0.253970D+01
      2  -0.116078D+01 -0.240834D+01  0.194662D+01 -0.135725D+01  0.173650D+01
      3  -0.518412D+01  0.250723D+01 -0.135725D+01  0.290877D+01 -0.108680D+01
               176           177           178           179           180 
      1   0.173650D+01 -0.108680D+01  0.152137D+01 -0.663578D+00  0.160776D+01
      2  -0.232543D+01  0.200007D+01 -0.663578D+00  0.109532D+01 -0.108524D+01
      3   0.200007D+01 -0.181059D+01  0.160776D+01 -0.108524D+01  0.183734D+01
               181           182           183           184           185 
      1  -0.411591D+01 -0.226623D+01  0.231948D+01 -0.237171D+01 -0.159344D+01
      2  -0.226623D+01 -0.182138D+01  0.128610D+01 -0.159344D+01 -0.218783D+01
      3   0.231948D+01  0.128610D+01 -0.280328D+01  0.101138D+01  0.189803D+01
               186           187           188           189           190 
      1   0.101138D+01  0.160522D+01  0.724164D+00 -0.165469D+01  0.156766D+00
      2   0.189803D+01  0.724164D+00  0.109649D+01 -0.103135D+01  0.315650D+00
      3  -0.181236D+01 -0.165469D+01 -0.103135D+01  0.197454D+01  0.110389D+01
               191           192           193           194           195 
      1   0.315650D+00  0.110389D+01  0.679243D+00  0.357943D-01  0.197011D+00
      2   0.877734D-01  0.153407D+00  0.357943D-01  0.403744D+01  0.261311D+01
      3   0.153407D+00  0.234699D+00  0.197011D+00  0.261311D+01  0.415979D+01
               196           197           198           199           200 
      1   0.782374D+00  0.602176D-01  0.616341D-01 -0.432062D+00 -0.997583D+00
      2   0.602176D-01  0.188649D+01  0.230111D+01 -0.997583D+00 -0.931298D+00
      3   0.616341D-01  0.230111D+01  0.392742D+01 -0.584840D+00 -0.471180D-01
               201           202           203           204           205 
      1  -0.584840D+00 -0.215458D+01 -0.164611D+01  0.668283D-01 -0.978311D+00
      2  -0.471180D-01 -0.164611D+01 -0.600187D+01 -0.111231D+01 -0.139718D+00
      3  -0.321673D+00  0.668283D-01 -0.111231D+01 -0.104512D+01 -0.585696D+00
               206           207           208           209           210 
      1  -0.139718D+00 -0.585696D+00 -0.722004D+01  0.199908D+01 -0.209484D+01
      2  -0.115992D+01 -0.901638D+00  0.199908D+01 -0.115034D+01  0.500332D+00
      3  -0.901638D+00 -0.240421D+00 -0.209484D+01  0.500332D+00 -0.152935D+01
               211           212           213           214           215 
      1   0.377859D+01 -0.180839D+01  0.817596D+00 -0.380058D+01  0.855911D+00
      2  -0.180839D+01  0.134452D+01 -0.908331D+00  0.855911D+00 -0.110173D+01
      3   0.817596D+00 -0.908331D+00  0.956225D+00 -0.238642D+01  0.754196D+00
               216           217           218           219           220 
      1  -0.238642D+01 -0.243867D+01  0.307101D+00  0.177064D+01  0.798688D+00
      2   0.754196D+00  0.307101D+00 -0.321121D+00  0.140560D+00 -0.697502D+00
      3  -0.140070D+01  0.177064D+01  0.140560D+00 -0.190637D+01  0.207666D-01
               221           222           223           224           225 
      1  -0.697502D+00  0.207666D-01  0.345237D+01  0.238750D+00 -0.345677D+01
      2  -0.241544D+00  0.729448D+00  0.238750D+00  0.851158D+00 -0.103040D-01
      3   0.729448D+00  0.257586D+00 -0.345677D+01 -0.103040D-01  0.651765D+01
               226           227           228           229           230 
      1   0.396870D+01  0.192291D+01 -0.472606D+00  0.209828D+01  0.182710D+01
      2   0.192291D+01  0.285868D+01  0.345520D+00  0.182710D+01  0.337668D+01
      3  -0.472606D+00  0.345520D+00  0.664570D+00  0.665821D-01 -0.161454D+00
               231           232           233           234           235 
      1   0.665821D-01 -0.574570D+00  0.161331D+00  0.392080D+00 -0.117594D+01
      2  -0.161454D+00  0.161331D+00 -0.590728D+00  0.640823D+00  0.993235D+00
      3   0.560260D+00  0.392080D+00  0.640823D+00  0.336855D+00  0.124529D+01
               236           237           238           239           240 
      1   0.993235D+00  0.124529D+01  0.413387D+00 -0.388351D+00 -0.111838D+00
      2  -0.656654D+00 -0.405823D+00 -0.388351D+00  0.325949D+00  0.996883D+00
      3  -0.405823D+00 -0.151097D+01 -0.111838D+00  0.996883D+00  0.579245D+00
               241           242           243           244           245 
      1   0.161406D+01 -0.780456D+00 -0.214661D+01 -0.489463D+01  0.362988D+01
      2  -0.780456D+00  0.204835D+01  0.208419D+01  0.362988D+01 -0.353247D+01
      3  -0.214661D+01  0.208419D+01  0.741410D+01 -0.119956D+01  0.720521D+00
               246           247           248           249           250 
      1  -0.119956D+01  0.263068D+01 -0.268461D+01  0.656482D+00 -0.215272D+01
      2   0.720521D+00 -0.268461D+01  0.380621D+01 -0.120273D+01  0.152614D+01
      3  -0.132609D+01  0.656482D+00 -0.120273D+01  0.675746D+00 -0.152143D+01
               251           252           253           254           255 
      1   0.152614D+01 -0.152143D+01  0.293122D+01  0.144579D+01 -0.343264D+00
      2  -0.246472D+01  0.128166D+01  0.144579D+01  0.108792D+01 -0.111005D+00
      3   0.128166D+01 -0.883822D+00 -0.343264D+00 -0.111005D+00  0.486073D+00
               256           257           258           259           260 
      1  -0.113264D+01 -0.219732D+01 -0.116910D+00 -0.205773D+00  0.190346D+00
      2  -0.219732D+01 -0.454015D+01  0.304639D+00  0.190346D+00  0.381346D+00
      3  -0.116910D+00  0.304639D+00 -0.622629D+00  0.638312D+00 -0.780181D+00
               261           262           263           264           265 
      1   0.638312D+00 -0.245062D+01 -0.406310D+01  0.327084D+00 -0.568821D+01
      2  -0.780181D+00 -0.406310D+01  0.695866D-01  0.188304D+00 -0.112874D+01
      3   0.408773D+00  0.327084D+00  0.188304D+00  0.322609D+00  0.162764D+00
               266           267           268           269           270 
      1  -0.112874D+01  0.162764D+00  0.642845D+00  0.247635D+00 -0.109845D+01
      2   0.285844D+01  0.416817D+00  0.247635D+00  0.566991D+00  0.450229D+01
      3   0.416817D+00  0.389370D+01 -0.109845D+01  0.450229D+01 -0.107809D+01
               271           272           273           274           275 
      1   0.136949D+01  0.237200D+01 -0.281763D+00  0.783415D+01  0.329540D+01
      2   0.237200D+01  0.114270D+01  0.241119D-01  0.329540D+01  0.100265D+02
      3  -0.281763D+00  0.241119D-01  0.243754D+00  0.814065D-01 -0.496532D+00
               276           277           278           279           280 
      1   0.814065D-01 -0.654711D+00 -0.152804D+00  0.113540D+01  0.935538D+00
      2  -0.496532D+00 -0.152804D+00 -0.597739D+00  0.236444D+01 -0.171013D+00
      3   0.185165D+01  0.113540D+01  0.236444D+01 -0.657123D+00  0.988109D+00
               281           282           283           284           285 
      1  -0.171013D+00  0.988109D+00 -0.127812D+01  0.131244D+01 -0.585968D+00
      2  -0.353765D-01 -0.115926D+00  0.131244D+01 -0.350357D+01  0.191658D+01
      3  -0.115926D+00  0.135696D+00 -0.585968D+00  0.191658D+01 -0.249392D+01
               286           287           288           289           290 
      1   0.250706D+01 -0.106303D+01  0.147365D+01  0.912564D+01  0.184185D+01
      2  -0.106303D+01  0.248576D+01 -0.288378D+01  0.184185D+01  0.132773D+01
      3   0.147365D+01 -0.288378D+01  0.494489D+01 -0.219304D+00 -0.495047D-01
               291           292           293           294           295 
      1  -0.219304D+00  0.404797D+01  0.162851D+01 -0.555892D-01 -0.542302D+00
      2  -0.495047D-01  0.162851D+01  0.142856D+01 -0.126202D+00 -0.648754D-01
      3   0.111062D+01 -0.555892D-01 -0.126202D+00  0.320136D+00  0.135663D+01
               296           297           298           299           300 
      1  -0.648754D-01  0.135663D+01  0.776270D+00 -0.247661D+00 -0.855041D+00
      2  -0.178496D+00 -0.645333D-01 -0.247661D+00 -0.149257D+00  0.333802D-01
      3  -0.645333D-01 -0.534413D-01 -0.855041D+00  0.333802D-01 -0.267396D-01
               301           302           303           304           305 
      1  -0.157009D+01  0.145597D+01  0.425179D+00 -0.226021D+01  0.918785D+00
      2   0.145597D+01 -0.455332D+01 -0.208824D+01  0.918785D+00 -0.276922D+01
      3   0.425179D+00 -0.208824D+01 -0.251015D+01  0.110173D+01 -0.281275D+01
               306 
      1   0.110173D+01
      2  -0.281275D+01
      3  -0.354981D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.267722D+01 -0.124602D+01 -0.645631D+01 -0.134440D+01  0.985043D+01
      2   0.238727D+01  0.750675D+01  0.167387D+02  0.589956D+01  0.174263D+01
      3  -0.409289D+00 -0.622844D+01 -0.566417D+01 -0.140477D+01 -0.764379D+01
                 6             7             8             9            10 
      1   0.274797D+01 -0.602244D+01  0.804049D+01 -0.816641D+01 -0.104831D+01
      2  -0.189356D+01  0.761586D+01 -0.313515D+01 -0.885144D+01  0.165443D+01
      3  -0.172586D+00 -0.280468D+01 -0.704900D+00  0.904132D+01  0.804094D+01
                11            12            13            14            15 
      1  -0.471473D+01  0.525022D+01 -0.491759D+01 -0.815009D+01 -0.986595D+01
      2  -0.507039D+00  0.274036D+01 -0.250083D+00  0.191109D+01  0.186962D+01
      3  -0.133530D+02  0.119902D+01 -0.717389D+01  0.224154D+00  0.288707D+01
                16            17            18            19            20 
      1   0.376714D+01 -0.207453D+01  0.653498D+01  0.662823D+01  0.544481D+00
      2  -0.238139D+01  0.136476D+01 -0.441752D+00 -0.604042D+01 -0.380626D+01
      3  -0.123144D+00  0.239195D+01 -0.528808D+01 -0.748965D+01 -0.467331D+01
                21            22            23            24            25 
      1   0.510130D+00  0.142784D+01 -0.929181D+01 -0.561205D+01 -0.726437D-01
      2  -0.370728D+01 -0.409623D+01 -0.259350D+01  0.143678D+01 -0.131484D+02
      3  -0.254844D+01  0.268369D+01  0.604365D+01  0.154829D+01 -0.218878D+01
                26            27            28            29            30 
      1   0.158088D+01  0.675581D+01 -0.792363D+01 -0.305076D-01  0.434936D+01
      2   0.297004D+01  0.122984D+02  0.407804D+01  0.386300D+01  0.505066D+01
      3   0.130781D+01 -0.268872D+01  0.237379D+01  0.151647D+01  0.422484D+01
                31            32            33            34            35 
      1  -0.511557D+00  0.970090D+01 -0.796066D+01  0.562889D+01 -0.898870D+00
      2   0.668364D+01 -0.107597D+01 -0.345648D+00 -0.148012D+01 -0.186528D+00
      3   0.826759D+01  0.276124D+01 -0.146250D+01  0.371914D+01 -0.675901D+00
                36            37            38            39            40 
      1  -0.165095D+01  0.108161D+01  0.961048D+00 -0.207403D+01 -0.432928D+00
      2  -0.682600D+01  0.364253D+01 -0.251966D+01  0.186449D+01 -0.417213D+01
      3  -0.394987D+01 -0.155114D+01  0.293118D+01  0.795381D+00  0.589497D+01
                41            42            43            44            45 
      1   0.123066D+01 -0.218717D+01 -0.433719D+01  0.168639D+01 -0.401180D+01
      2  -0.154792D+01 -0.168355D+01 -0.448143D+01 -0.231939D+01  0.159881D+01
      3   0.728389D+00  0.106445D+01 -0.529349D+00 -0.226769D+00  0.119431D+01
                46            47            48            49            50 
      1  -0.298681D+01  0.645938D+00 -0.310826D+00  0.171372D+01  0.393821D+01
      2  -0.227089D+01  0.436032D+01  0.698498D+00  0.448794D+01 -0.334809D+01
      3  -0.322163D+01  0.275125D+00 -0.179355D+01  0.821326D+01 -0.157379D+01
                51            52            53            54            55 
      1   0.139448D+01  0.160663D+00  0.971367D+01  0.838240D+00  0.207835D+01
      2  -0.268371D-01 -0.933274D+01 -0.508821D-01  0.139098D+01 -0.100004D+02
      3   0.194165D+01 -0.190272D+01  0.362272D+01  0.111140D+01  0.677418D+01
                56            57            58            59            60 
      1   0.433694D+01 -0.137085D+01  0.303812D+01  0.230759D+01 -0.111522D+01
      2  -0.322853D+01 -0.448381D+00 -0.354441D+01 -0.277127D+01  0.313010D+00
      3  -0.154077D+01  0.189070D+01  0.197577D+01 -0.662240D+00 -0.154438D+00
                61            62            63            64            65 
      1  -0.443306D+00  0.951723D+00  0.145754D+00 -0.892124D+00 -0.254097D+01
      2  -0.241787D+01  0.243438D-01  0.605144D+00  0.936833D+01 -0.427088D+01
      3   0.152196D+01 -0.460600D+00  0.105600D+00 -0.612326D+01  0.213686D+01
                66            67            68            69            70 
      1   0.403763D+01 -0.841301D+00 -0.175322D+00 -0.853079D+00  0.250492D+01
      2  -0.900558D+01 -0.249703D+01  0.384730D+01  0.296656D+01 -0.898942D+01
      3   0.561088D+01  0.322585D+01 -0.208428D+01 -0.309056D+01  0.433407D+01
                71            72            73            74            75 
      1   0.257338D+01 -0.499437D+01  0.131014D+01  0.367528D+00  0.353225D+01
      2   0.429696D+01  0.126634D+02  0.490323D+00 -0.319089D+00  0.104231D+01
      3  -0.251160D+01 -0.709304D+01 -0.184569D+02  0.705226D+01 -0.751713D+00
                76            77            78            79            80 
      1  -0.849193D-01  0.128747D+01 -0.195836D+01  0.177371D+01  0.536009D-01
      2  -0.475025D+00  0.164221D+00 -0.897872D+00 -0.170665D+01  0.266628D+00
      3   0.804043D+01 -0.682533D+01 -0.282948D+00 -0.946350D-01 -0.633584D+00
                81            82            83            84            85 
      1  -0.310642D+00  0.216339D+01  0.202878D+01 -0.479110D+01  0.193961D+01
      2  -0.203870D-01 -0.237189D+00 -0.566127D+00  0.225108D+01  0.156007D-01
      3  -0.211740D+01  0.620916D+01  0.172518D+01 -0.184598D+01  0.459910D+01
                86            87            88            89            90 
      1   0.407966D+01 -0.440418D+01 -0.251682D+01 -0.131205D+01  0.449490D+01
      2  -0.952381D+00  0.176357D+01 -0.447950D+00  0.118968D+01 -0.128725D+01
      3  -0.216322D-01 -0.579512D+00 -0.232166D+01 -0.328108D-01  0.140012D+01
                91            92            93            94            95 
      1   0.217446D+01 -0.365397D+00  0.169484D+01  0.152876D+00  0.959303D+00
      2   0.348805D+01 -0.240070D+01  0.128767D+02 -0.340845D+01  0.682039D+01
      3   0.138945D+02 -0.391886D+01  0.746207D+00  0.810026D+01 -0.925968D+01
                96            97            98            99           100 
      1  -0.514170D+01  0.185497D+01  0.267254D+01 -0.430955D+01 -0.228310D+01
      2  -0.176980D+01  0.480258D+01 -0.191247D+01 -0.121956D+02 -0.296130D+01
      3  -0.687342D+01  0.137228D+01 -0.613208D+01 -0.213994D+00  0.513220D+00
               101           102           103           104           105 
      1   0.301900D+01  0.130563D+00  0.195856D+01 -0.345294D+01  0.136183D+01
      2   0.153217D+01  0.225069D+01  0.247295D+01  0.106393D+01 -0.240431D+01
      3  -0.275087D+01  0.537623D+00  0.217490D+00  0.302735D+01 -0.315180D+01
               106           107           108           109           110 
      1  -0.377286D+00  0.465567D+01 -0.102599D+01 -0.181929D+01 -0.710285D+00
      2  -0.149391D+01 -0.155792D+01  0.397338D+01 -0.734919D-01  0.166683D+01
      3  -0.431678D+00 -0.307541D+01  0.206360D+01  0.784713D+00  0.760478D+00
               111           112           113           114           115 
      1  -0.447010D+00 -0.114931D+01 -0.125707D+02 -0.120176D+01 -0.248386D+00
      2  -0.563720D-02  0.286956D+01  0.248116D+01  0.398212D+00 -0.147758D+01
      3  -0.391956D+00  0.522225D+01 -0.144212D+01 -0.113765D+00 -0.401504D+00
               116           117           118           119           120 
      1   0.801183D+00 -0.107528D+01  0.411018D+01 -0.216331D+01 -0.335017D+01
      2  -0.227412D-01  0.126239D+01  0.824219D+01 -0.983057D+00 -0.138088D+01
      3  -0.347353D+00  0.508155D+00  0.444320D+01 -0.233310D+01 -0.339509D+01
               121           122           123           124           125 
      1  -0.187929D+01  0.193454D+01  0.281881D+01 -0.287205D+01  0.426247D+01
      2  -0.395728D+01  0.105692D+01 -0.471986D-02 -0.563824D+01 -0.297490D+00
      3  -0.840697D+00  0.166188D+01  0.127319D+01 -0.323458D+01  0.156082D+01
               126           127           128           129           130 
      1   0.597323D+01  0.646409D+00 -0.338180D-01 -0.679407D+00 -0.797254D-02
      2   0.309628D+01  0.975718D-01  0.845263D-01  0.433734D+00 -0.123731D+01
      3   0.389922D+01  0.123788D+01  0.830053D+00  0.538092D+00  0.561760D+01
               131           132           133           134           135 
      1   0.604744D+00 -0.224902D+01  0.484487D+00  0.872953D+00 -0.198815D+01
      2   0.181389D+01  0.181713D+01 -0.312654D+01  0.106148D+01  0.255989D+01
      3  -0.201365D+01 -0.918669D+00  0.195032D+01 -0.938052D+00 -0.181048D+00
               136           137           138           139           140 
      1  -0.503952D+00  0.115049D+00 -0.342753D+00  0.121829D+00 -0.154035D+01
      2  -0.773098D+00 -0.948457D+00  0.709201D+01  0.182708D+01  0.512826D+00
      3   0.119519D+02 -0.774499D+01  0.160568D+01  0.112005D+02  0.532693D+01
               141           142           143           144           145 
      1  -0.341367D+01  0.963219D+00  0.127852D+01  0.308979D+00  0.976905D+01
      2  -0.149628D+01 -0.666391D+01 -0.234779D+01  0.476578D+00  0.221868D+01
      3  -0.649732D+00 -0.669275D-01  0.216832D+00  0.178439D+01  0.295762D+01
               146           147           148           149           150 
      1  -0.536905D+00 -0.771227D-01 -0.660834D+00 -0.753716D+01 -0.178318D+02
      2  -0.129720D+02  0.152401D+02 -0.128780D+02  0.267159D+01  0.477681D+00
      3  -0.640021D+01  0.371759D+01 -0.239790D+01 -0.315494D+00 -0.193802D+01
               151           152           153           154           155 
      1  -0.324444D+00 -0.952501D+01 -0.318579D+01 -0.965428D+00  0.108358D+00
      2   0.669171D+01  0.117821D+01 -0.175012D+01 -0.819577D+01  0.371180D+01
      3   0.254356D+01 -0.213695D+01 -0.988287D+00 -0.154312D+02  0.159024D+01
               156           157           158           159           160 
      1   0.657258D+00  0.745671D+00  0.286767D+01 -0.115025D+01  0.150835D+01
      2  -0.104151D+02  0.476774D+01 -0.954488D+01  0.257931D+01 -0.211650D+02
      3  -0.276912D+01  0.943829D+01  0.187350D+02  0.895214D+01 -0.357353D+01
               161           162           163           164           165 
      1   0.309808D+01 -0.111891D+01 -0.829583D+01  0.228481D+01 -0.615773D+01
      2   0.212456D+01  0.175878D+02 -0.339714D+01  0.698644D+01 -0.415648D+01
      3   0.916152D+01 -0.279159D+01 -0.126233D+02 -0.159204D+02  0.110768D+01
               166           167           168           169           170 
      1   0.216433D+01 -0.612599D+01  0.116727D+01 -0.839707D+01  0.944538D+01
      2   0.609340D+01 -0.566985D+01  0.152461D+01 -0.103113D+02  0.387254D+01
      3  -0.104667D+02  0.335619D+01  0.381892D+01  0.187456D+01  0.396006D+01
               171           172           173           174           175 
      1   0.138153D+02 -0.488709D+01  0.515620D+01 -0.195573D+00  0.398763D+01
      2   0.106693D+02 -0.155797D+02  0.732784D+01 -0.626922D+01  0.852499D+01
      3   0.336145D+01 -0.692051D+01  0.164467D+01 -0.293334D+01  0.499377D+01
               176           177           178           179           180 
      1  -0.474884D+01  0.190547D+01 -0.875363D+00  0.318731D+01 -0.115543D+01
      2  -0.593267D+01  0.314459D+01 -0.668115D+01  0.286699D+01 -0.479553D+01
      3  -0.210048D+01  0.205328D+01 -0.213159D+01  0.698542D+00 -0.201607D+01
               181           182           183           184           185 
      1  -0.442366D+01 -0.503272D+01 -0.788653D-01 -0.367152D+01 -0.431559D+01
      2   0.113960D+02  0.519810D+01 -0.189972D+01  0.665149D+01  0.286595D+01
      3   0.316037D+01 -0.110001D+01 -0.781233D+00  0.229212D+01 -0.977083D+00
               186           187           188           189           190 
      1   0.180957D+01  0.725867D+00  0.335350D+01 -0.115289D+01  0.169960D+01
      2  -0.555607D+00 -0.449608D+01 -0.140064D+01  0.222227D+01 -0.839724D+00
      3   0.609591D+00 -0.984881D+00  0.722127D+00  0.656597D+00  0.199331D+00
               191           192           193           194           195 
      1  -0.109575D+00  0.644522D+00 -0.271264D+00  0.162449D+02  0.804741D+01
      2  -0.114042D+01 -0.203880D+01 -0.358911D+01 -0.124685D+01 -0.277198D+01
      3  -0.540293D+00 -0.567616D+00  0.174002D+01  0.203831D+01  0.156747D+01
               196           197           198           199           200 
      1   0.250771D+00  0.895224D+01  0.861379D+01 -0.633417D+00 -0.113534D+00
      2  -0.362651D+01 -0.157846D+01 -0.266108D+01  0.210614D+01  0.558503D+00
      3   0.220267D+00  0.122148D+01  0.128454D+01 -0.376756D+01 -0.309196D+01
               201           202           203           204           205 
      1  -0.391334D+00 -0.657878D-01 -0.295893D+01 -0.347664D+01 -0.902349D-01
      2   0.166176D+01 -0.181485D+00  0.517345D+01  0.518401D+01  0.905784D+00
      3   0.203487D+00 -0.117808D+01 -0.256085D+02 -0.546739D+01  0.560691D+00
               206           207           208           209           210 
      1  -0.293378D+00 -0.864914D+00  0.291377D-01  0.470651D+00  0.252207D+00
      2   0.392081D+01  0.167544D+01  0.941146D+01 -0.270039D+01  0.861346D+01
      3  -0.545576D+01 -0.353286D+01  0.865733D+01 -0.717447D+01  0.276257D+01
               211           212           213           214           215 
      1  -0.267913D+00 -0.513596D+00 -0.104246D+01 -0.234193D+00  0.110833D+01
      2  -0.368484D+01  0.400309D+01 -0.497069D+01  0.821236D+01 -0.310482D+01
      3  -0.550100D+01  0.628383D+01 -0.365629D+01  0.345944D+01 -0.570081D+01
               216           217           218           219           220 
      1   0.383814D+00  0.579816D+00 -0.666630D+00 -0.712999D+00 -0.132697D+00
      2   0.688669D+01 -0.524777D+01 -0.649127D+00  0.781850D+01 -0.621901D+00
      3   0.330307D+01  0.169691D+01 -0.221880D+01  0.203744D-01 -0.156749D+01
               221           222           223           224           225 
      1   0.157653D+00 -0.415857D+00 -0.703968D+00  0.291021D+01  0.197047D+01
      2  -0.236517D+01 -0.829516D+00  0.867215D+01 -0.159142D-01 -0.257587D+02
      3  -0.947214D+00  0.234536D+01  0.471251D+00  0.445379D+01  0.330795D+00
               226           227           228           229           230 
      1   0.346272D+01  0.141196D+01 -0.313661D+01  0.177213D+01  0.273425D+01
      2  -0.304291D+01 -0.215952D+01  0.484996D+00 -0.191271D+01 -0.110067D+01
      3   0.185674D+02  0.940393D+01 -0.134545D+01  0.117898D+02  0.106955D+02
               231           232           233           234           235 
      1  -0.290486D+01 -0.164932D+01 -0.906331D+00  0.267463D-01 -0.213302D+01
      2  -0.229840D+00 -0.131778D+01 -0.117118D+01 -0.838726D+00 -0.152684D+01
      3  -0.579553D+00 -0.186295D+01 -0.955115D+00  0.253038D+01 -0.681916D-02
               236           237           238           239           240 
      1  -0.254469D-03  0.332979D+01  0.307589D+00 -0.241515D+01 -0.126328D+01
      2   0.370538D+00  0.321768D+01 -0.856467D-01 -0.202502D+01 -0.796270D+00
      3  -0.379089D+00  0.160072D+01  0.970893D+00 -0.310766D+00  0.161949D+01
               241           242           243           244           245 
      1   0.423777D+01  0.214724D+00 -0.179053D+02  0.556856D+01 -0.358166D+01
      2   0.601422D+00 -0.375451D+01 -0.157315D+02  0.508360D+01 -0.375150D+01
      3   0.258409D+01  0.380478D+01  0.157492D+00 -0.395572D+01 -0.197562D+01
               246           247           248           249           250 
      1   0.504963D+01 -0.348858D+01  0.503516D+01 -0.399759D+01  0.435380D+01
      2   0.550610D+01 -0.296732D+01  0.433834D+01 -0.278672D+01  0.344025D+01
      3  -0.151984D+01  0.217639D+01  0.284251D+01 -0.932698D+00 -0.248473D+01
               251           252           253           254           255 
      1  -0.309188D+01  0.356666D+01 -0.214567D+00 -0.250922D+00 -0.131064D+01
      2  -0.352941D+01  0.353871D+01 -0.261234D+01 -0.939886D+00 -0.106587D+02
      3  -0.306620D+01 -0.549120D+00 -0.956148D+01 -0.514590D+00  0.741626D+00
               256           257           258           259           260 
      1   0.376602D+00  0.131406D+01  0.693665D+01  0.368520D-01  0.919996D+01
      2  -0.203414D+01  0.215751D+01 -0.697396D+01 -0.197633D+02 -0.978564D+00
      3   0.351657D+01  0.201363D+02 -0.177491D+01  0.208231D+01 -0.213069D+01
               261           262           263           264           265 
      1  -0.162146D+01 -0.187766D+00  0.436741D+00  0.167381D+01 -0.172253D-02
      2   0.176577D+01  0.165850D+01  0.151537D+01  0.596930D+01  0.177980D+01
      3   0.252193D+01  0.204618D+02 -0.914938D+00 -0.114058D+01  0.136402D+02
               266           267           268           269           270 
      1   0.827692D+00  0.155841D+01 -0.310094D+01  0.744390D+01 -0.659410D+00
      2   0.196689D+01  0.167568D+02 -0.855378D+01  0.216794D+02 -0.496390D+01
      3  -0.114677D+02 -0.197630D+01 -0.144548D+01 -0.294670D+01 -0.199061D+02
               271           272           273           274           275 
      1   0.741977D+00  0.389951D+00  0.816850D+00  0.146118D+00  0.100372D+00
      2  -0.117960D+01 -0.521944D-01  0.663568D+01  0.485084D+00 -0.246368D+01
      3  -0.847952D+01 -0.612983D+01 -0.495826D+00  0.233524D+01 -0.362568D+02
               276           277           278           279           280 
      1  -0.943496D+01  0.208022D+00  0.551812D+00  0.108787D+01  0.587130D+00
      2   0.104773D+02  0.458055D+01  0.729279D+01 -0.311722D+01  0.396099D+01
      3   0.209063D+01 -0.115734D+01  0.246736D+01 -0.745054D+01  0.472345D+00
               281           282           283           284           285 
      1  -0.122990D+00 -0.899300D-01 -0.566285D+00  0.950654D+00 -0.323439D+01
      2  -0.231045D+00  0.529911D+00 -0.188039D+01  0.857309D+01 -0.110237D+02
      3  -0.379893D+00 -0.530586D+00 -0.310487D+01  0.141001D+02 -0.795365D+01
               286           287           288           289           290 
      1   0.107612D+01 -0.834359D+00  0.477550D+01 -0.112819D+00 -0.372423D-02
      2   0.413228D+01 -0.128085D+02  0.217633D+02 -0.197033D+01 -0.499047D+00
      3   0.152355D+01 -0.101828D+02  0.119725D+02 -0.143977D+02 -0.948934D+01
               291           292           293           294           295 
      1   0.303941D+00  0.841554D-01 -0.384528D-01 -0.783997D+00  0.830301D+00
      2   0.676834D+01 -0.635337D+00 -0.764409D+00  0.193749D+01  0.465009D+01
      3   0.489540D+00 -0.827441D+01 -0.809086D+01  0.636466D+00  0.686482D+00
               296           297           298           299           300 
      1   0.501355D+00 -0.448748D-01 -0.642733D+00 -0.534740D-01 -0.259759D+00
      2  -0.303999D+00 -0.458889D+00 -0.372363D+01 -0.236501D+00  0.177055D+00
      3   0.961672D+00 -0.345477D+00  0.925596D+00  0.330675D+00  0.882995D+00
               301           302           303           304           305 
      1   0.747647D+00 -0.209175D+01 -0.392532D+01  0.973261D+00 -0.159815D+01
      2   0.155001D+01 -0.976193D+01 -0.111858D+02  0.333283D+01 -0.127121D+02
      3  -0.317894D+01  0.187196D+02  0.892935D+01 -0.116384D+01  0.117626D+02
               306 
      1  -0.425038D+01
      2  -0.159451D+02
      3   0.118853D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.202234D+01 -0.102362D+02 -0.188787D+02 -0.800972D+01 -0.990581D+01
      2   0.734826D+01  0.367483D+01 -0.404132D+01  0.408780D+01  0.100056D+02
      3  -0.532593D+01  0.656141D+01  0.229201D+02  0.392191D+01 -0.998310D-01
      4  -0.157171D+02 -0.100566D+02 -0.125226D+02 -0.858306D+01  0.577630D+01
      5  -0.166385D+02 -0.144142D+02 -0.904893D+01 -0.118396D+02 -0.903023D+00
      6  -0.209621D+02 -0.667766D+01  0.495071D+01 -0.511573D+01  0.835684D+01
                 6             7             8             9            10 
      1   0.192256D+01 -0.132808D+02  0.259034D+01  0.139484D+02  0.893954D+01
      2   0.795033D+01 -0.363458D+01  0.625595D+01 -0.682041D+01 -0.200540D+02
      3  -0.987289D+01  0.169154D+02 -0.884629D+01 -0.712801D+01  0.111144D+02
      4  -0.771190D+00 -0.775964D+01 -0.219290D+00  0.236665D-01  0.147031D+01
      5  -0.658373D+01 -0.254419D+01 -0.497182D+01  0.110549D+02  0.406268D+01
      6  -0.543261D+01  0.441583D+01 -0.725816D+01 -0.827223D+01  0.510519D+01
                11            12            13            14            15 
      1  -0.147875D+01 -0.128246D+00 -0.289279D+01 -0.748332D+00 -0.518357D+01
      2  -0.168377D+01  0.865513D+01 -0.669848D+00 -0.264402D+01  0.115476D+02
      3   0.316252D+01 -0.852688D+01  0.356264D+01  0.339235D+01 -0.636398D+01
      4  -0.165477D+02  0.609744D+01 -0.122835D+02 -0.237213D+01  0.962101D+01
      5   0.498475D+01 -0.418728D+01  0.432719D+01  0.742971D+01  0.348807D+01
      6   0.779763D+01 -0.595764D+01  0.602059D+01  0.953231D+01  0.183063D+01
                16            17            18            19            20 
      1  -0.201619D+01 -0.581831D+01 -0.429620D+01  0.190870D+00  0.509561D+01
      2   0.839948D+01  0.139794D+02  0.103206D+02 -0.364176D+00 -0.548609D+01
      3  -0.638329D+01 -0.816109D+01 -0.602444D+01  0.173306D+00  0.390470D+00
      4   0.385670D+01  0.996965D+01 -0.301907D+01  0.856240D+01 -0.389217D+01
      5  -0.389025D+01  0.106114D+01 -0.519298D+01  0.501361D+00  0.107695D+02
      6  -0.482467D+01  0.214140D+01 -0.354196D+01  0.114260D+02  0.375455D+00
                21            22            23            24            25 
      1   0.767410D+01  0.538906D+01  0.432635D+01 -0.787030D+00  0.938320D+01
      2   0.962451D+01 -0.637042D+01  0.834489D+00 -0.895417D+01  0.605998D+01
      3  -0.172986D+02  0.981360D+00 -0.516084D+01  0.974120D+01 -0.154432D+02
      4   0.735477D+01 -0.410682D+01 -0.724227D+01 -0.862305D+01  0.605319D+01
      5  -0.146222D+02  0.104827D+02 -0.942683D+01  0.115952D+02 -0.185002D+02
      6   0.933521D+01 -0.210762D+01 -0.882945D+01 -0.769488D+01  0.796572D+01
                26            27            28            29            30 
      1  -0.188476D+01 -0.157819D+02 -0.162206D+01  0.163178D+01 -0.895528D+01
      2  -0.565650D+01  0.904420D+01  0.864697D+01 -0.278716D+01 -0.677614D+01
      3   0.754126D+01  0.673774D+01 -0.702491D+01  0.115538D+01  0.157314D+02
      4  -0.591037D+01  0.134577D+02  0.155619D+01  0.179548D+01 -0.222734D+00
      5   0.126969D+02 -0.740533D+01 -0.106124D+01 -0.431515D+01 -0.639027D+01
      6  -0.529645D+01  0.854241D+01 -0.743176D+01  0.431283D+00 -0.345320D+01
                31            32            33            34            35 
      1   0.117094D+01  0.125348D+02  0.196335D+01 -0.104860D+02  0.286304D+01
      2  -0.425834D+01 -0.194618D+02  0.999590D+01 -0.497477D+01  0.468039D+01
      3   0.308740D+01  0.692700D+01 -0.119592D+02  0.154607D+02 -0.754343D+01
      4   0.195614D+01  0.350750D+00  0.125258D+01 -0.158382D+01  0.433809D-01
      5  -0.558115D+01  0.560302D+01  0.200575D+01 -0.323139D+01 -0.310152D+00
      6   0.214950D+01  0.181128D+02 -0.120389D+01 -0.429174D+01  0.171463D+01
                36            37            38            39            40 
      1  -0.360612D+01 -0.285284D+02  0.196367D+01  0.106695D+01  0.109044D+02
      2   0.461601D+01  0.147069D+02 -0.209418D+01  0.334207D+00 -0.377681D+01
      3  -0.100988D+01  0.138215D+02  0.130512D+00 -0.140116D+01 -0.712759D+01
      4  -0.353920D+01 -0.217128D+01 -0.817734D+01  0.100446D+01 -0.340438D+01
      5   0.879518D+01  0.871743D+00  0.204982D+01 -0.778125D+01  0.303420D+01
      6  -0.722404D+01  0.407747D+01 -0.124727D+01 -0.372437D+00 -0.229628D+01
                41            42            43            44            45 
      1   0.319905D+01 -0.160858D+01  0.318541D+01 -0.272260D+01  0.869516D+01
      2  -0.442160D+00 -0.197027D+01 -0.457508D+00  0.131259D+01 -0.285363D+01
      3  -0.275689D+01  0.357885D+01 -0.272790D+01  0.141001D+01 -0.584153D+01
      4   0.308834D+00 -0.191338D+01  0.110675D+01 -0.868889D-01 -0.809041D+00
      5  -0.212923D+01 -0.227950D+01 -0.304704D+01 -0.202225D+01 -0.224616D+01
      6  -0.507181D+01 -0.787210D+01  0.421955D+00 -0.573825D+01 -0.154889D+00
                46            47            48            49            50 
      1  -0.174987D+02  0.749166D+01 -0.300175D+01  0.114869D+02 -0.582253D+01
      2   0.315373D+01 -0.532489D+00 -0.166631D+00 -0.475908D+01 -0.528169D+01
      3   0.143450D+02 -0.695917D+01  0.316838D+01 -0.672785D+01  0.111042D+02
      4   0.107116D+02 -0.181559D+01 -0.124554D+01 -0.991018D+00 -0.440457D-01
      5  -0.332107D+01 -0.488333D+01  0.396139D+01 -0.450030D+01 -0.495051D+01
      6  -0.831182D+01  0.707801D+00  0.746389D+00  0.106067D+01 -0.560412D+01
                51            52            53            54            55 
      1   0.546736D+01 -0.627270D+01  0.746504D+01 -0.422849D+00  0.204511D+02
      2  -0.899955D+01  0.127044D+01 -0.117962D+02  0.123261D+00 -0.123467D+02
      3   0.353219D+01  0.500226D+01  0.433116D+01  0.299588D+00 -0.810444D+01
      4  -0.689424D+01  0.128846D+01 -0.901079D+01  0.106355D+01  0.254892D+02
      5  -0.467590D+00  0.174001D+01 -0.175776D+01  0.556273D+01  0.287123D+02
      6   0.466403D+01 -0.645823D-01  0.140249D+01  0.332506D+01  0.168609D+02
                56            57            58            59            60 
      1   0.417156D+01  0.513859D+01  0.357971D+01  0.121133D+01 -0.129743D+01
      2   0.496342D+00 -0.641238D+01  0.144702D+01  0.382897D+01 -0.229155D+00
      3  -0.466790D+01  0.127380D+01 -0.502673D+01 -0.504030D+01  0.152658D+01
      4   0.176068D+02  0.134423D+02  0.156997D+02  0.141093D+02  0.824896D+01
      5   0.144573D+02  0.201367D+02  0.108740D+02  0.109715D+02  0.852619D+01
      6   0.134854D+02  0.116453D+02  0.106096D+02  0.113068D+02  0.103836D+02
                61            62            63            64            65 
      1   0.310525D+01 -0.120430D+01 -0.711780D+00 -0.805112D+01  0.863065D+01
      2  -0.473794D+01 -0.222483D+01 -0.492368D+01 -0.212170D+01 -0.377223D+01
      3   0.163269D+01  0.342913D+01  0.563546D+01  0.101728D+02 -0.485842D+01
      4   0.796248D+01  0.589516D+01  0.854795D+01 -0.307595D+01  0.282654D+01
      5   0.143801D+02  0.818540D+01  0.130499D+02 -0.548469D+01  0.374297D+01
      6   0.767830D+01  0.874472D+01  0.110762D+02  0.101458D+02 -0.834501D+01
                66            67            68            69            70 
      1   0.163216D+02  0.450440D+01 -0.853376D+01 -0.834589D+01  0.105251D+02
      2   0.363985D+01 -0.281034D+01  0.300745D+01  0.218283D+01  0.227981D+01
      3  -0.199615D+02 -0.169406D+01  0.552631D+01  0.616306D+01 -0.128050D+02
      4   0.517450D+01  0.282723D+01 -0.123860D+01  0.127168D+00  0.393861D+01
      5   0.733576D+01  0.269177D+01 -0.124218D+01  0.230177D+00  0.605323D+01
      6  -0.135096D+02 -0.452573D+01  0.869317D+01  0.136077D+02 -0.734622D+01
                71            72            73            74            75 
      1  -0.106529D+02 -0.281153D+02 -0.296926D+01  0.988716D+01  0.107771D+01
      2   0.352515D+00 -0.941686D+01  0.137074D+02 -0.178578D+02 -0.922120D+00
      3   0.103004D+02  0.375321D+02 -0.107381D+02  0.797068D+01 -0.155592D+00
      4   0.346523D+00 -0.187167D+01 -0.157658D+02  0.110261D+02 -0.122828D+01
      5   0.842067D+00 -0.146473D+01 -0.230011D+01  0.711854D+00  0.113172D+01
      6   0.145172D+02  0.242843D+02 -0.172944D+00 -0.202123D+01 -0.450139D+01
                76            77            78            79            80 
      1   0.606330D+01 -0.104276D+02  0.176679D-01  0.619865D+00  0.196732D+00
      2  -0.123425D+02  0.207231D+02 -0.165424D+01 -0.101722D+01 -0.128646D+01
      3   0.627919D+01 -0.102955D+02  0.163657D+01  0.397355D+00  0.108973D+01
      4   0.963781D+01 -0.800995D+01 -0.752289D+00 -0.229936D+00 -0.126974D+01
      5   0.503854D+00 -0.165109D+01 -0.581331D+00  0.234808D+01 -0.584269D+00
      6  -0.145221D+01  0.344333D+00  0.352748D+01 -0.389386D+01  0.526906D+01
                81            82            83            84            85 
      1  -0.229521D+01  0.394178D+01 -0.298444D+01 -0.439680D+00 -0.158615D+01
      2   0.168132D+01  0.809024D+01  0.144164D+02 -0.336673D+01  0.100691D+02
      3   0.613887D+00 -0.120320D+02 -0.114319D+02  0.380641D+01 -0.848298D+01
      4  -0.201238D+01  0.149184D+02  0.183789D+02 -0.615254D+01  0.145485D+02
      5   0.332280D+00 -0.428977D+01 -0.356447D+01  0.507963D+01 -0.255265D+01
      6   0.117500D+01 -0.444876D+01 -0.495374D+01  0.669517D+01 -0.366109D+01
                86            87            88            89            90 
      1  -0.117696D+02  0.356838D+01  0.164949D+00  0.538335D+01 -0.274499D+01
      2   0.307246D+02 -0.861553D+01 -0.332915D+01 -0.114498D+02  0.425708D+01
      3  -0.189550D+02  0.504715D+01  0.316420D+01  0.606644D+01 -0.151210D+01
      4   0.218181D+02 -0.688679D+01 -0.564093D+01 -0.823340D+01  0.715108D+01
      5  -0.538524D+01  0.358717D+01  0.455297D+01  0.436493D+01 -0.459986D+01
      6  -0.917954D+01  0.705610D+01  0.533033D+01  0.920630D+01 -0.743354D+01
                91            92            93            94            95 
      1  -0.317855D+01 -0.248345D+02  0.667990D+01 -0.294214D+02  0.895070D+01
      2   0.892914D+01  0.111269D+02 -0.278773D+01  0.143258D+02 -0.831784D+01
      3  -0.575059D+01  0.137076D+02 -0.389217D+01  0.150956D+02 -0.632856D+00
      4  -0.242948D+02  0.733195D+01 -0.214381D+01  0.516235D+01  0.127788D+02
      5   0.367653D+01 -0.283044D+00  0.130141D+02 -0.135125D+01  0.888737D+01
      6   0.354300D+01 -0.685166D+00 -0.207170D+01 -0.409794D+00 -0.211234D+01
                96            97            98            99           100 
      1  -0.150195D+01  0.670412D+01  0.442761D+00  0.179782D+02  0.953418D+01
      2  -0.204007D+01 -0.199673D+01 -0.485344D+01 -0.631478D+01 -0.120060D+02
      3   0.354202D+01 -0.470738D+01  0.441068D+01 -0.116634D+02  0.247186D+01
      4   0.117689D+02 -0.330224D+01  0.120440D+02 -0.642928D+01 -0.106771D+02
      5  -0.444001D+01  0.151140D+02 -0.370592D+01 -0.166315D+02  0.205448D+02
      6  -0.919697D+00 -0.226340D+01  0.583885D+00  0.380195D+01 -0.864584D+01
               101           102           103           104           105 
      1  -0.313965D+01  0.238735D+01 -0.224275D+01 -0.327573D+01  0.390711D+01
      2   0.360660D+01 -0.110355D+02  0.297090D+01 -0.110002D+01  0.370523D+01
      3  -0.466950D+00  0.864819D+01 -0.728154D+00  0.437575D+01 -0.761233D+01
      4   0.877781D+01 -0.775509D+01  0.931505D+01 -0.960751D+01  0.972636D+01
      5  -0.986195D+01  0.227802D+02 -0.974761D+01  0.117260D+02 -0.122780D+02
      6   0.617103D+01 -0.792073D+01  0.719881D+01 -0.110167D+02  0.144747D+02
               106           107           108           109           110 
      1  -0.815407D+00  0.361047D+01 -0.804822D+01 -0.430997D+00 -0.799914D+00
      2  -0.955761D+01  0.447014D+01 -0.173856D+02  0.304128D+01  0.226923D+01
      3   0.103730D+02 -0.808061D+01  0.254338D+02 -0.261029D+01 -0.146932D+01
      4  -0.608272D+01  0.718848D+01 -0.104492D+02  0.865238D+00  0.564551D+01
      5   0.200894D+02 -0.110696D+02  0.291050D+02 -0.791728D+00 -0.239573D+01
      6  -0.737504D+01  0.116002D+02 -0.152452D+02 -0.336519D+01 -0.152467D+01
               111           112           113           114           115 
      1   0.105768D+01 -0.121694D+01 -0.251029D+02  0.929666D+01  0.271003D+01
      2   0.172261D+00  0.270620D+01  0.356662D+02 -0.736203D+01  0.628236D-01
      3  -0.122994D+01 -0.148926D+01 -0.105633D+02 -0.193463D+01 -0.277285D+01
      4  -0.126584D+01  0.573487D+01  0.150259D+01 -0.107606D+01 -0.230053D+00
      5   0.298884D+01 -0.339496D+01 -0.410587D+01  0.978352D+00  0.252354D+01
      6   0.123290D+01 -0.382195D+01 -0.270675D+02  0.126543D+02  0.173796D+01
               116           117           118           119           120 
      1   0.571184D+01 -0.530258D+01  0.256493D+01 -0.104671D+01  0.449345D+01
      2  -0.256536D+01  0.340111D+01 -0.103385D+02  0.150605D+01  0.759643D+01
      3  -0.314648D+01  0.190146D+01  0.777353D+01 -0.459340D+00 -0.120899D+02
      4   0.174356D-01  0.515634D+00  0.199501D+01  0.140988D+01 -0.161217D+01
      5   0.685926D+00 -0.166484D+01 -0.126410D+02  0.127698D+01  0.128391D+02
      6   0.966483D+01 -0.620087D+01  0.153651D+00 -0.255586D+01  0.213939D+01
               121           122           123           124           125 
      1  -0.486660D+00 -0.355652D+01 -0.308605D+01  0.383119D+01 -0.230351D+00
      2   0.293196D+01  0.833394D+00 -0.482263D+01  0.774080D+01 -0.265073D+01
      3  -0.244530D+01  0.272312D+01  0.790868D+01 -0.115720D+02  0.288108D+01
      4   0.123110D+01 -0.655573D+00 -0.103120D+01 -0.156739D+01 -0.108083D+01
      5   0.424415D+01 -0.293634D+01 -0.363922D+01  0.119836D+02 -0.416200D+00
      6  -0.252630D+01  0.216108D+00  0.441108D+01  0.227204D+01  0.437309D+01
               126           127           128           129           130 
      1  -0.124301D+02  0.697666D+01  0.113355D+01  0.110875D+01  0.348861D+01
      2  -0.137271D+02 -0.238352D+01 -0.132092D+00 -0.474533D+00 -0.139823D+01
      3   0.261572D+02 -0.459314D+01 -0.100146D+01 -0.634215D+00 -0.209038D+01
      4   0.189063D+01  0.240085D+01  0.287485D+01  0.188035D+01  0.406258D+01
      5  -0.134835D+02  0.217947D+01  0.143120D+01  0.272250D+01  0.210787D+01
      6  -0.193773D+01  0.283296D+01  0.112688D+01  0.162356D+01  0.149218D+01
               131           132           133           134           135 
      1  -0.816444D+01 -0.441650D+01  0.187850D+01 -0.376147D+01 -0.777487D+01
      2   0.991577D+01  0.404269D+01 -0.149579D+01  0.242671D+01  0.155666D+01
      3  -0.175133D+01  0.373814D+00 -0.382716D+00  0.133476D+01  0.621821D+01
      4   0.287418D+01  0.237815D+01  0.206103D+01  0.202742D+01  0.227182D+01
      5   0.234990D+01  0.257115D+01  0.352292D+01  0.251476D+01  0.406102D+01
      6   0.862205D+01  0.804349D+01  0.139092D+01  0.723291D+01  0.823505D+01
               136           137           138           139           140 
      1   0.219608D+02 -0.589181D+01  0.383212D+01 -0.217176D+02 -0.291099D+01
      2  -0.114271D+02  0.165002D+01 -0.192449D+01  0.117411D+02  0.497014D+01
      3  -0.105337D+02  0.424179D+01 -0.190764D+01  0.997651D+01 -0.205915D+01
      4  -0.435801D+01  0.148774D+02 -0.114811D+01  0.105320D+02 -0.528552D+01
      5   0.260938D+01 -0.103186D+01  0.144584D+02 -0.177708D+01  0.126513D+01
      6  -0.537516D+00 -0.409609D+00  0.315912D+00  0.266953D+00  0.194155D+00
               141           142           143           144           145 
      1   0.252258D+00  0.283326D+01  0.476011D+00 -0.425210D+01  0.110841D+02
      2   0.457645D+00 -0.904497D+00 -0.458707D-01  0.661805D+00 -0.120043D+01
      3  -0.709904D+00 -0.192876D+01 -0.430140D+00  0.359030D+01 -0.988362D+01
      4   0.143821D+01 -0.937261D+00 -0.420726D-01 -0.258442D+01 -0.676278D+01
      5   0.460272D+00  0.177385D+01 -0.115941D+01  0.733144D+00  0.416093D+01
      6   0.506867D+01  0.992697D+00  0.350606D+01 -0.711935D+00  0.250660D+02
               146           147           148           149           150 
      1  -0.632841D+01  0.484232D+01 -0.632173D+01  0.984761D+01  0.573252D+01
      2   0.337472D+01 -0.290350D+01  0.337876D+01  0.860859D+01  0.753834D+01
      3   0.295368D+01 -0.193882D+01  0.294297D+01 -0.184562D+02 -0.132709D+02
      4  -0.871213D+01  0.971858D+01 -0.859089D+01  0.190028D+01  0.548026D+01
      5   0.205926D+02 -0.166526D+02  0.205105D+02  0.424451D+01  0.183301D+01
      6  -0.159358D+01 -0.115369D+00 -0.154178D+01 -0.387605D+01 -0.205109D+02
               151           152           153           154           155 
      1   0.423981D+01  0.321123D+01 -0.661756D+01 -0.128643D+01  0.290466D+02
      2  -0.183153D+01  0.819417D+01 -0.517386D+01  0.114262D+01 -0.146451D+02
      3  -0.240828D+01 -0.114054D+02  0.117914D+02  0.143816D+00 -0.144015D+02
      4   0.596351D+01  0.491816D+01  0.130168D+01  0.289727D+02 -0.413098D+01
      5  -0.129464D+02  0.176147D+01 -0.365844D+01 -0.158346D+02  0.421735D+01
      6  -0.146227D+00 -0.148127D+02 -0.109943D+02 -0.101402D+01 -0.448380D+00
               156           157           158           159           160 
      1  -0.175091D+02  0.348005D+02 -0.650997D+01  0.772354D+01 -0.218081D+02
      2   0.568017D+01 -0.189791D+02 -0.579475D+00 -0.429308D+01  0.518060D+01
      3   0.118289D+02 -0.158214D+02  0.708944D+01 -0.343046D+01  0.166275D+02
      4   0.443819D+01 -0.762756D+01 -0.252757D+02 -0.144405D+02  0.670348D+01
      5  -0.202758D+02  0.728117D+01 -0.135694D+02  0.566857D+01 -0.301222D+02
      6  -0.445535D+00 -0.101114D+01  0.516149D+00  0.109238D+01 -0.330971D+00
               161           162           163           164           165 
      1   0.704261D+01 -0.225056D+02  0.863469D+01  0.235189D+02 -0.836624D+01
      2  -0.400160D+01  0.188878D+02 -0.220810D+02 -0.108187D+02 -0.333223D+01
      3  -0.304101D+01  0.361772D+01  0.134463D+02 -0.127001D+02  0.116985D+02
      4  -0.146748D+02  0.474566D+01  0.205176D+02 -0.208004D+02  0.971287D+01
      5   0.509585D+01  0.315393D+02 -0.838041D+01  0.219313D+01 -0.883559D+01
      6   0.543039D+00  0.182089D+01  0.399720D+01 -0.607537D+01  0.820097D+01
               166           167           168           169           170 
      1   0.238715D+02 -0.928091D+01 -0.705618D+00 -0.103555D+02  0.147773D+01
      2  -0.117867D+02  0.771321D+01  0.966307D+01 -0.450601D+01  0.125749D+02
      3  -0.120848D+02  0.156769D+01 -0.895746D+01  0.148616D+02 -0.140526D+02
      4  -0.171410D+02 -0.682714D+01 -0.135610D+02  0.123551D+02 -0.164066D+02
      5   0.172477D+01 -0.110912D+02  0.211310D+01 -0.122115D+02  0.657009D+01
      6  -0.521254D+01  0.119495D+02  0.224675D-01  0.107208D+02 -0.393590D+01
               171           172           173           174           175 
      1  -0.371966D+01 -0.576568D+01  0.741037D+01 -0.113648D+02  0.595055D+01
      2   0.111289D+02 -0.859906D+00 -0.390088D+01 -0.347406D+01 -0.391136D+01
      3  -0.740923D+01  0.662559D+01 -0.350949D+01  0.148389D+02 -0.203919D+01
      4   0.121846D+02 -0.726726D+01  0.557550D+01 -0.452582D+01  0.600436D+01
      5   0.241444D+02  0.184832D+02 -0.100736D+02  0.119199D+02 -0.106972D+02
      6  -0.185308D+02 -0.145221D+02  0.120448D+02 -0.110110D+02  0.102538D+02
               176           177           178           179           180 
      1  -0.108047D+02  0.853536D+01 -0.570805D+01  0.516091D+01 -0.931275D+01
      2   0.605260D+01 -0.103598D+01 -0.260298D+01  0.674886D-01 -0.278602D+01
      3   0.475206D+01 -0.749938D+01  0.831103D+01 -0.522840D+01  0.120988D+02
      4  -0.383407D+01  0.121663D+01 -0.254224D+01  0.103233D+01 -0.239961D+01
      5   0.566395D+01 -0.461484D+01  0.831058D+01 -0.356977D+01  0.769104D+01
      6  -0.138437D+02  0.142116D+02 -0.635350D+01  0.904551D+01 -0.869294D+01
               181           182           183           184           185 
      1   0.723072D+01 -0.877498D-01  0.363509D+01  0.105540D+01 -0.515797D+01
      2  -0.729992D+01  0.420366D-01  0.733251D+01  0.504387D-01  0.280821D+01
      3   0.691991D-01  0.457132D-01 -0.109676D+02 -0.110584D+01  0.234975D+01
      4   0.137258D+02  0.108378D+02 -0.808835D+01  0.103537D+02  0.981644D+01
      5  -0.238154D+02 -0.133767D+02  0.187217D+02 -0.129863D+02 -0.105616D+02
      6  -0.135143D+02 -0.111116D+02  0.105345D+02 -0.924616D+01 -0.130073D+02
               186           187           188           189           190 
      1   0.542794D+01  0.164517D+01  0.292860D+01 -0.421949D+01 -0.221574D+01
      2   0.616305D+00  0.495858D+01  0.115828D+01 -0.561046D+01 -0.194093D+01
      3  -0.604425D+01 -0.660375D+01 -0.408688D+01  0.982995D+01  0.415666D+01
      4  -0.657948D+01 -0.467454D+01 -0.408464D+01  0.566125D+01 -0.366342D+00
      5   0.890797D+01  0.132679D+02  0.658457D+01 -0.127509D+02 -0.855459D+00
      6   0.134550D+02  0.659548D+01  0.901168D+01 -0.850465D+01  0.106689D+01
               191           192           193           194           195 
      1  -0.681023D+00 -0.227911D+01 -0.109194D+01 -0.876143D+01 -0.139809D+02
      2  -0.455007D+00  0.318074D+00 -0.291377D+00 -0.361461D+01 -0.110233D+02
      3   0.113603D+01  0.196104D+01  0.138331D+01  0.123760D+02  0.250041D+02
      4   0.286916D+01 -0.186268D+00  0.299881D+01 -0.605487D+01 -0.310481D+01
      5   0.178255D+01  0.694657D+01  0.366737D+01 -0.267090D+01 -0.444061D+01
      6   0.859103D+00  0.700329D+00  0.672348D+00  0.212748D+02  0.155528D+02
               196           197           198           199           200 
      1  -0.140260D+01 -0.755481D+01 -0.139706D+02  0.388465D+01  0.588786D+01
      2   0.315488D+00 -0.717044D+01 -0.130431D+02  0.144983D+00 -0.811447D+00
      3   0.108712D+01  0.147253D+02  0.270137D+02 -0.402963D+01 -0.507642D+01
      4   0.889206D-01 -0.244888D+01 -0.317132D+01  0.727015D+01  0.106954D+02
      5   0.556909D+01 -0.273804D+01 -0.457861D+01  0.382569D+01  0.846664D+00
      6   0.282657D+00  0.123997D+02  0.128548D+02  0.552578D+00  0.583275D-01
               201           202           203           204           205 
      1   0.419790D+01  0.142051D+02  0.360750D+01 -0.174792D+01  0.762638D+01
      2  -0.168416D+01 -0.439301D+01  0.965965D+01  0.226413D+01 -0.300217D+01
      3  -0.251373D+01 -0.981210D+01 -0.132672D+02 -0.516212D+00 -0.462421D+01
      4   0.127125D+01  0.171108D+02  0.417465D+02  0.733935D+01  0.206411D+01
      5   0.332613D+01 -0.326663D+00  0.700957D+01  0.694210D+01  0.571137D+01
      6   0.457147D+00 -0.472449D+00 -0.234879D-01  0.364685D+01  0.628816D+00
               206           207           208           209           210 
      1  -0.184794D+00  0.191211D+01  0.642486D+02 -0.164148D+02  0.177700D+02
      2   0.121486D+01 -0.144137D+01 -0.319658D+02  0.759528D+01 -0.922110D+01
      3  -0.103006D+01 -0.470742D+00 -0.322828D+02  0.881948D+01 -0.854888D+01
      4   0.806759D+01  0.560251D+01 -0.173822D+02  0.117312D+02 -0.457048D+01
      5   0.565877D+01  0.105930D+01  0.189629D+02 -0.468910D+01  0.146968D+02
      6   0.329997D+01  0.136153D+01 -0.392622D+00  0.519109D+00 -0.356779D+00
               211           212           213           214           215 
      1  -0.295719D+02  0.121417D+02 -0.604363D+01  0.307365D+02 -0.617118D+01
      2   0.137580D+02 -0.329190D+01  0.311558D+01 -0.160423D+02  0.306314D+01
      3   0.158140D+02 -0.884983D+01  0.292805D+01 -0.146942D+02  0.310804D+01
      4   0.173098D+02 -0.122224D+02  0.737409D+01 -0.751569D+01  0.923147D+01
      5  -0.740904D+01  0.723794D+01 -0.834513D+01  0.219373D+02 -0.663714D+01
      6   0.129366D+01 -0.107097D+01  0.171320D+01 -0.120106D+01  0.184530D+01
               216           217           218           219           220 
      1   0.158172D+02  0.184011D+02 -0.253266D+01 -0.117241D+02 -0.577105D+01
      2  -0.109526D+02 -0.127686D+02  0.134512D+01  0.917791D+01  0.334836D+01
      3  -0.486469D+01 -0.563259D+01  0.118754D+01  0.254616D+01  0.242269D+01
      4  -0.611760D+01 -0.171655D+01  0.357416D+01 -0.141947D+01  0.643405D+01
      5   0.130622D+02 -0.160389D+02 -0.975688D+00  0.189511D+02 -0.170910D-01
      6  -0.161772D+01 -0.571740D+00 -0.104470D+01  0.956012D+00 -0.215916D+01
               221           222           223           224           225 
      1   0.236872D+01 -0.717903D+00 -0.216388D+02 -0.198163D+01  0.125997D+02
      2  -0.152349D+01  0.672351D-01  0.173649D+02  0.109144D+01 -0.215779D+02
      3  -0.845234D+00  0.650668D+00  0.427391D+01  0.890194D+00  0.897819D+01
      4   0.169460D+01 -0.573469D+01 -0.229984D+01 -0.700932D+01 -0.697693D-01
      5  -0.534323D+01 -0.195351D+01  0.309322D+02 -0.336374D+00 -0.483345D+02
      6   0.228332D+00  0.415830D+01  0.101622D+01  0.423021D+01 -0.274180D+01
               226           227           228           229           230 
      1  -0.151673D+02 -0.172539D+02  0.275340D+00 -0.134372D+02 -0.182455D+02
      2   0.154991D+02  0.206659D+02  0.547393D+00  0.145688D+02  0.254247D+02
      3  -0.331753D+00 -0.341203D+01 -0.822733D+00 -0.113161D+01 -0.717918D+01
      4   0.899139D+01  0.208670D+01 -0.257409D+01  0.622073D+01 -0.189097D+00
      5   0.497423D+01  0.104069D+01 -0.348822D+00  0.198729D+01  0.281115D+01
      6  -0.199918D+00  0.385023D+01  0.386543D+01  0.170973D+01  0.197266D+01
               231           232           233           234           235 
      1  -0.296438D+00  0.217924D+01  0.413430D+00 -0.390847D+01  0.374216D+01
      2  -0.857983D+00 -0.351895D+00 -0.315881D+01  0.222276D+01 -0.231158D+01
      3   0.115442D+01 -0.182735D+01  0.274538D+01  0.168570D+01 -0.143058D+01
      4   0.836468D+00 -0.246616D+01  0.295028D+01 -0.286954D+00 -0.741479D+01
      5  -0.852800D+00  0.923657D+00 -0.152913D+01 -0.158670D+01 -0.842449D+01
      6   0.393112D+01  0.209499D+01  0.428293D+01  0.144414D+01  0.460202D+01
               236           237           238           239           240 
      1  -0.274761D+01 -0.420154D+01 -0.446459D+00 -0.171219D+01 -0.329891D+01
      2   0.271240D+00  0.515556D+01 -0.934925D+00  0.501356D+00  0.382269D+01
      3   0.247637D+01 -0.954014D+00  0.138138D+01  0.121084D+01 -0.523773D+00
      4   0.751983D+01  0.537789D+01  0.471831D+01 -0.254403D+01 -0.446742D+01
      5   0.331960D+01  0.119019D+02  0.743753D+00 -0.440681D+01 -0.286365D+01
      6  -0.221241D+01 -0.659088D+01 -0.165294D+01  0.446401D+01  0.821826D+01
               241           242           243           244           245 
      1  -0.406369D+01 -0.522934D+01 -0.891013D+01  0.247025D+02 -0.119412D+02
      2   0.602604D+01  0.440210D+01 -0.122197D+02  0.678876D+00 -0.795653D+01
      3  -0.196236D+01  0.827240D+00  0.211299D+02 -0.253813D+02  0.198977D+02
      4   0.791666D+01 -0.993871D+01 -0.130841D+02 -0.353018D+02  0.317716D+02
      5   0.153716D+02 -0.103062D+02 -0.341317D+02  0.543381D+01 -0.290944D+01
      6  -0.948757D+01  0.142116D+02  0.293157D+02 -0.520546D+01  0.329060D+01
               246           247           248           249           250 
      1   0.611282D+01 -0.799161D+01  0.340809D+01 -0.326570D+00  0.968696D+01
      2   0.350967D+00 -0.752001D+01  0.164353D+02 -0.469194D+01  0.794633D+00
      3  -0.646379D+01  0.155116D+02 -0.198434D+02  0.501851D+01 -0.104816D+02
      4  -0.814356D+01  0.249530D+02 -0.284276D+02  0.805718D+01 -0.150963D+02
      5   0.793476D+01 -0.233890D+01  0.515194D+01 -0.386970D+01  0.917361D+01
      6  -0.707239D+01  0.330669D+01 -0.531358D+01  0.509311D+01 -0.782718D+01
               251           252           253           254           255 
      1  -0.171489D+01  0.370652D+01 -0.126561D+02  0.923192D+01 -0.183398D+01
      2  -0.861597D+01  0.925660D-01  0.516952D+01 -0.212343D+01  0.121664D+01
      3   0.103309D+02 -0.379908D+01  0.748656D+01 -0.710849D+01  0.617339D+00
      4   0.166196D+02 -0.107096D+02  0.116952D+02 -0.126561D+02 -0.751155D+00
      5  -0.717433D+01  0.557295D+01 -0.158184D+01 -0.563831D+00 -0.166520D+02
      6   0.767013D+01 -0.555550D+01  0.237702D+00 -0.235255D+00  0.212324D+01
               256           257           258           259           260 
      1  -0.124160D+01 -0.186287D+01 -0.223420D+01 -0.705366D+00 -0.748544D+00
      2  -0.198736D+01 -0.105411D+02  0.181964D+00  0.190413D+00  0.179194D+01
      3   0.322896D+01  0.124040D+02  0.205223D+01  0.514953D+00 -0.104340D+01
      4  -0.272386D+02 -0.378612D+02  0.197755D+01  0.205490D+01  0.331281D+01
      5   0.975055D+00  0.176448D+01 -0.111980D+02  0.442741D+01 -0.487108D+01
      6  -0.102627D+01  0.717706D+00 -0.835537D+01  0.904234D+00  0.372600D+01
               261           262           263           264           265 
      1  -0.314528D+01 -0.277701D+02 -0.341010D+02  0.320327D+01 -0.524720D+02
      2  -0.547278D+01  0.182388D+02  0.155947D+02 -0.208620D+01  0.256538D+02
      3   0.861806D+01  0.953127D+01  0.185063D+02 -0.111707D+01  0.268182D+02
      4  -0.463423D+01 -0.373091D+02  0.596443D+01  0.127565D+01 -0.548647D+01
      5   0.351723D+01  0.320750D+01  0.111614D+01  0.519861D+01  0.108761D+01
      6   0.190855D+01 -0.917462D+00 -0.476308D+00 -0.228167D+01 -0.171765D+00
               266           267           268           269           270 
      1  -0.310055D+01  0.191250D+01  0.608797D+01  0.224939D+01  0.449876D+01
      2   0.258608D+01 -0.341057D+01 -0.229803D+01 -0.416324D+01 -0.482081D+01
      3   0.514471D+00  0.149807D+01 -0.378993D+01  0.191385D+01  0.322047D+00
      4   0.189750D+02  0.344199D+01  0.180318D+01  0.439386D+01  0.354800D+02
      5   0.382875D+01  0.312206D+02 -0.855001D+01  0.374947D+02 -0.885906D+01
      6  -0.191603D+01 -0.106119D+02  0.504676D+01 -0.139589D+02  0.295937D+01
               271           272           273           274           275 
      1   0.163364D+02  0.123042D+02 -0.176485D+01  0.370289D+02 -0.112549D+02
      2  -0.544617D+01 -0.395203D+01  0.611230D+00 -0.108313D+02  0.324562D+02
      3  -0.108903D+02 -0.835218D+01  0.115362D+01 -0.261975D+02 -0.212013D+02
      4   0.190905D+02  0.202975D+02 -0.503297D+00  0.345106D+02  0.723482D+02
      5  -0.125832D+01 -0.425518D+00  0.107301D+02 -0.692142D-01 -0.292187D+01
      6  -0.260245D+00  0.120575D+00  0.616177D+00  0.899878D+00 -0.330462D+00
               276           277           278           279           280 
      1   0.193158D+01 -0.366449D+01  0.961543D+00 -0.892601D-01  0.722729D+01
      2  -0.990551D+00  0.167840D+01 -0.131534D+01  0.589846D+00 -0.436430D+01
      3  -0.941033D+00  0.198610D+01  0.353799D+00 -0.500586D+00 -0.286299D+01
      4  -0.295524D+01 -0.156918D+01 -0.408110D+01  0.163415D+02 -0.227547D+01
      5   0.161329D+02  0.134448D+02  0.153926D+02 -0.441447D+01  0.831636D+01
      6   0.144962D+02  0.348680D+01  0.113684D+02 -0.213463D+01 -0.342832D+01
               281           282           283           284           285 
      1  -0.287904D+01  0.893330D+01 -0.679658D+01 -0.397037D+00  0.200324D+01
      2   0.153865D+01 -0.420128D+01  0.216899D+01  0.498248D+01 -0.236304D+01
      3   0.134039D+01 -0.473202D+01  0.462759D+01 -0.458544D+01  0.359801D+00
      4   0.237534D+01 -0.347251D+01  0.135117D+02 -0.281473D+02  0.155220D+02
      5  -0.278881D+01  0.429472D+01 -0.641561D+01  0.159716D+02 -0.208977D+02
      6   0.237874D+00 -0.172444D+00  0.298961D+01 -0.924107D+01  0.105968D+02
               286           287           288           289           290 
      1   0.175939D+02 -0.800243D-01 -0.278548D+01  0.989977D+02  0.193465D+02
      2  -0.987932D+01 -0.631242D+00 -0.467288D+01 -0.526501D+02 -0.110838D+02
      3  -0.771462D+01  0.711267D+00  0.745836D+01 -0.463476D+02 -0.826261D+01
      4  -0.118819D+02  0.202257D+02 -0.228731D+02  0.143687D+02  0.139584D+02
      5   0.163767D+02 -0.243355D+02  0.410065D+02 -0.154089D+01 -0.300685D+00
      6  -0.491300D+01  0.121988D+02 -0.145950D+02  0.869444D+00  0.341375D+00
               291           292           293           294           295 
      1  -0.240879D+01  0.395040D+02  0.158078D+02 -0.741652D+00 -0.549766D+01
      2   0.120878D+01 -0.211294D+02 -0.777652D+01  0.623093D+00  0.285329D+01
      3   0.120001D+01 -0.183746D+02 -0.803129D+01  0.118559D+00  0.264437D+01
      4  -0.325882D+00  0.173237D+02  0.142817D+02 -0.107833D+01 -0.494111D+00
      5   0.129875D+02 -0.355761D+00 -0.100244D+01  0.402786D+01  0.153485D+02
      6  -0.622096D+00  0.380106D+00  0.460759D+00  0.192904D+01 -0.358998D+00
               296           297           298           299           300 
      1  -0.909343D+00  0.111437D+02  0.625016D+01 -0.382801D+01 -0.798860D+01
      2   0.848667D+00 -0.668516D+01 -0.263605D+01  0.214649D+01  0.370681D+01
      3   0.606763D-01 -0.445856D+01 -0.361411D+01  0.168152D+01  0.428179D+01
      4  -0.154966D+01 -0.238345D-01 -0.258652D+01  0.211125D+01  0.271070D+01
      5   0.440569D+00 -0.733256D+00 -0.704207D+01  0.192136D+01  0.207712D+01
      6   0.251487D+01 -0.137414D+00  0.336539D+01  0.200379D+00  0.316504D+00
               301           302           303           304           305 
      1  -0.905955D+01 -0.151772D+01 -0.307555D+01 -0.165032D+02 -0.107000D+01
      2   0.248775D+01  0.967695D+01  0.500797D+01  0.796260D+01  0.396693D+01
      3   0.657181D+01 -0.815923D+01 -0.193242D+01  0.854061D+01 -0.289693D+01
      4   0.153992D+02 -0.362841D+02 -0.167146D+02  0.106570D+02 -0.222367D+02
      5   0.511704D+01 -0.176188D+02 -0.209831D+02  0.122695D+02 -0.236963D+02
      6  -0.267070D+01  0.101430D+02  0.101029D+02 -0.414604D+01  0.118258D+02
               306 
      1  -0.289372D+01
      2  -0.245640D+00
      3   0.313936D+01
      4  -0.221547D+02
      5  -0.293280D+02
      6   0.117236D+02
 Leave Link  716 at Thu Jul 22 20:29:25 2021, MaxMem= 17179869184 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.162103D+03 -0.184154D+01 -0.777433D+00
      2  -0.184154D+01  0.137130D+03 -0.398622D+00
      3  -0.777433D+00 -0.398622D+00  0.131341D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.252305D+00  0.110291D+01  0.751305D+01
      2  -0.224201D+00 -0.429655D+01 -0.486523D+02
      3  -0.590206D+01  0.229008D+02  0.357484D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.143360D+02  0.532737D+01 -0.521969D+00
      2   0.114560D+02  0.488173D+01 -0.112665D+02
      3   0.287993D+01 -0.102091D+02  0.117885D+02
      4  -0.862659D+01 -0.519228D+02 -0.128432D+02
      5   0.662805D+01 -0.118717D+02 -0.101709D+03
      6  -0.512808D+01  0.118866D+01 -0.317152D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.283820D+01  0.289744D+01  0.329595D+01  0.241711D+01  0.711568D+00
      2   0.289744D+01  0.922138D+00  0.324511D+00  0.711568D+00 -0.318586D+01
      3   0.329595D+01  0.324511D+00 -0.347512D+01  0.698398D+00 -0.641272D-01
                 6             7             8             9            10 
      1   0.698398D+00  0.189926D+01  0.535972D+00 -0.306019D+01 -0.246780D+01
      2  -0.641272D-01  0.535972D+00  0.463871D-01  0.267106D+01  0.395557D+01
      3   0.261958D+01 -0.306019D+01  0.267106D+01  0.221876D+00 -0.129277D+01
                11            12            13            14            15 
      1   0.395557D+01 -0.129277D+01  0.347390D+01  0.517652D-01 -0.136942D+01
      2   0.763248D-01 -0.143083D+01  0.517652D-01  0.340481D+00 -0.303809D+01
      3  -0.143083D+01  0.192759D+01 -0.136942D+01 -0.303809D+01 -0.251015D+01
                16            17            18            19            20 
      1  -0.633470D+00 -0.166097D+01  0.140346D+01 -0.129855D+01 -0.350557D+01
      2  -0.166097D+01 -0.271930D+01 -0.165313D+01 -0.350557D+01  0.351467D+00
      3   0.140346D+01 -0.165313D+01  0.194242D+01  0.242067D+00 -0.121140D+01
                21            22            23            24            25 
      1   0.242067D+00 -0.375788D+01  0.427889D+00 -0.147639D+01 -0.333554D+00
      2  -0.121140D+01  0.427889D+00  0.362766D+01  0.195702D+01 -0.118941D+01
      3   0.460657D+01 -0.147639D+01  0.195702D+01 -0.243515D+01  0.561161D+01
                26            27            28            29            30 
      1  -0.118941D+01  0.561161D+01  0.863438D+00  0.194017D+01  0.141347D+01
      2   0.106963D+01 -0.325009D+01  0.194017D+01 -0.281119D+00  0.132107D+00
      3  -0.325009D+01 -0.120353D+01  0.141347D+01  0.132107D+00 -0.343834D+01
                31            32            33            34            35 
      1   0.255950D+01 -0.805379D+00 -0.127604D+00  0.132728D-02  0.367670D+00
      2  -0.805379D+00 -0.490820D+01  0.108856D+01  0.367670D+00  0.394893D+00
      3  -0.127604D+00  0.108856D+01  0.229683D+01 -0.366941D+01  0.191947D+01
                36            37            38            39            40 
      1  -0.366941D+01 -0.385141D+01  0.131999D+01 -0.129360D+01  0.230812D+01
      2   0.191947D+01  0.131999D+01  0.673041D+00 -0.100688D+01  0.593628D-02
      3  -0.654868D+00 -0.129360D+01 -0.100688D+01  0.276108D+01 -0.118519D+01
                41            42            43            44            45 
      1   0.593628D-02 -0.118519D+01  0.407361D+00 -0.880431D+00  0.157980D+01
      2  -0.909026D+00 -0.220691D+01 -0.880431D+00 -0.147146D+01 -0.168222D+01
      3  -0.220691D+01 -0.274574D+01  0.157980D+01 -0.168222D+01  0.160978D+01
                46            47            48            49            50 
      1   0.204126D+01 -0.471830D+01  0.321142D+01 -0.609216D+01  0.105314D+01
      2  -0.471830D+01  0.115608D+01  0.444228D+00  0.105314D+01  0.523357D+00
      3   0.321142D+01  0.444228D+00  0.456303D+00  0.419915D+00  0.376791D+01
                51            52            53            54            55 
      1   0.419915D+00  0.346762D+01 -0.168352D-01  0.142052D+00 -0.572776D+01
      2   0.376791D+01 -0.168352D-01  0.416176D+01  0.159839D+01 -0.266914D+01
      3   0.137814D+01  0.142052D+00  0.159839D+01 -0.306857D+01 -0.273690D+01
                56            57            58            59            60 
      1  -0.266914D+01 -0.273690D+01 -0.214845D+01 -0.203779D+01 -0.110714D+01
      2  -0.246431D+01 -0.147942D+01 -0.203779D+01 -0.206696D+01 -0.127770D+01
      3  -0.147942D+01 -0.220492D+01 -0.110714D+01 -0.127770D+01 -0.146790D+01
                61            62            63            64            65 
      1  -0.171430D+01 -0.964806D+00 -0.152588D+01  0.201144D+01 -0.124112D+01
      2  -0.964806D+00 -0.910574D+00 -0.140484D+01 -0.124112D+01  0.134890D+01
      3  -0.152588D+01 -0.140484D+01 -0.205419D+01 -0.245942D+01  0.123980D+01
                66            67            68            69            70 
      1  -0.245942D+01 -0.704675D+00  0.717050D+00  0.417099D+00 -0.170816D+01
      2   0.123980D+01  0.717050D+00 -0.109888D+01 -0.153728D+01  0.616084D+00
      3   0.363468D+01  0.417099D+00 -0.153728D+01 -0.168606D+01  0.221650D+01
                71            72            73            74            75 
      1   0.616084D+00  0.221650D+01  0.551446D+01 -0.287008D+01  0.271087D+00
      2  -0.167979D+01 -0.233186D+01 -0.287008D+01  0.322764D+01  0.275285D+00
      3  -0.233186D+01 -0.635818D+01  0.271087D+00  0.275285D+00  0.867368D+00
                76            77            78            79            80 
      1  -0.212247D+01  0.219402D+01  0.222143D+00  0.103031D+00  0.215065D+00
      2   0.219402D+01 -0.335081D+01  0.248334D+00  0.215065D+00  0.246443D+00
      3   0.222143D+00  0.248334D+00 -0.342979D+00  0.741265D+00 -0.619500D+00
                81            82            83            84            85 
      1   0.741265D+00 -0.245630D+01 -0.235452D+01  0.887182D+00 -0.199124D+01
      2  -0.619500D+00 -0.235452D+01 -0.290000D+01  0.907158D+00 -0.213626D+01
      3  -0.159786D+00  0.887182D+00  0.907158D+00 -0.140516D+01  0.645547D+00
                86            87            88            89            90 
      1  -0.213626D+01  0.645547D+00  0.882766D+00  0.984062D+00 -0.107669D+01
      2  -0.526663D+01  0.170345D+01  0.984062D+00  0.223219D+01 -0.128558D+01
      3   0.170345D+01 -0.103906D+01 -0.107669D+01 -0.128558D+01  0.130307D+01
                91            92            93            94            95 
      1  -0.128341D+01  0.545152D+01 -0.208038D+01  0.639728D+01 -0.663555D+00
      2   0.545152D+01 -0.139540D+01  0.863648D+00 -0.663555D+00 -0.329966D+01
      3  -0.208038D+01  0.863648D+00 -0.416758D+01  0.106461D+01 -0.327973D+01
                96            97            98            99           100 
      1   0.106461D+01 -0.164152D+01  0.788737D+00 -0.408338D+01 -0.331369D+01
      2  -0.327973D+01  0.788737D+00 -0.290862D+01  0.107218D+01  0.181925D+01
      3   0.125048D+01 -0.408338D+01  0.107218D+01  0.469084D+01 -0.269713D+01
               101           102           103           104           105 
      1   0.181925D+01 -0.269713D+01  0.182261D+01 -0.142359D+01  0.122870D+01
      2  -0.131082D+01  0.121295D+01 -0.142359D+01  0.197699D+01 -0.229845D+01
      3   0.121295D+01 -0.321529D+01  0.122870D+01 -0.229845D+01  0.247233D+01
               106           107           108           109           110 
      1  -0.200522D+01  0.882550D+00 -0.303864D+01  0.362558D+00  0.105681D+01
      2   0.882550D+00 -0.173526D+01  0.225462D+01  0.105681D+01  0.477095D+00
      3  -0.303864D+01  0.225462D+01 -0.575564D+01 -0.352968D+00 -0.155597D+00
               111           112           113           114           115 
      1  -0.352968D+00  0.140009D+01  0.881581D+00 -0.217877D+00 -0.386363D-01
      2  -0.155597D+00  0.881581D+00  0.784601D+01 -0.202228D+01 -0.129747D+00
      3   0.356958D+00 -0.217877D+00 -0.202228D+01  0.162851D+01  0.493383D+00
               116           117           118           119           120 
      1  -0.129747D+00  0.493383D+00  0.376991D+01 -0.526315D+00 -0.233310D+01
      2  -0.109217D+01  0.119209D+01 -0.526315D+00  0.553642D+00  0.113947D+00
      3   0.119209D+01 -0.810549D+00 -0.233310D+01  0.113947D+00  0.279991D+01
               121           122           123           124           125 
      1  -0.160477D+01  0.632249D+00  0.710229D+00 -0.262354D+01  0.500739D-01
      2   0.632249D+00 -0.604847D-01 -0.997768D+00  0.500739D-01 -0.886843D+00
      3   0.710229D+00 -0.997768D+00 -0.156369D+01  0.270472D+01 -0.476030D+00
               126           127           128           129           130 
      1   0.270472D+01  0.204445D+01  0.879701D+00  0.101583D+01  0.217114D+01
      2  -0.476030D+00  0.879701D+00  0.201035D+00  0.343242D+00  0.184311D+00
      3  -0.467131D+01  0.101583D+01  0.343242D+00  0.269544D+00  0.491363D+00
               131           132           133           134           135 
      1   0.184311D+00  0.491363D+00  0.141680D+01  0.447770D+00  0.232931D+00
      2   0.306273D+01  0.166508D+01  0.447770D+00  0.168632D+01  0.164338D+01
      3   0.166508D+01  0.204019D+01  0.232931D+00  0.164338D+01  0.239585D+01
               136           137           138           139           140 
      1   0.170044D+00 -0.186663D+01  0.499511D+00 -0.513519D+01  0.412045D+00
      2  -0.186663D+01 -0.135693D+01 -0.155426D+00  0.412045D+00 -0.198610D+01
      3   0.499511D+00 -0.155426D+00 -0.145838D+01  0.586051D-02  0.609964D+00
               141           142           143           144           145 
      1   0.586051D-02  0.587071D+00 -0.200874D+00 -0.358674D+00 -0.220282D+00
      2   0.609964D+00 -0.200874D+00  0.194727D+00 -0.581189D+00  0.451755D+01
      3  -0.279813D+00 -0.358674D+00 -0.581189D+00  0.307131D+00 -0.341982D+01
               146           147           148           149           150 
      1   0.451755D+01 -0.341982D+01  0.472708D+01 -0.268890D+00 -0.137161D+00
      2  -0.276469D+00 -0.146370D+00 -0.268890D+00 -0.133337D+01 -0.400596D+01
      3  -0.146370D+00 -0.238630D+00 -0.137161D+00 -0.400596D+01 -0.146383D+01
               151           152           153           154           155 
      1  -0.312291D+01  0.147338D-02 -0.218708D-01 -0.322911D-01 -0.386381D+01
      2   0.147338D-02 -0.331004D+01 -0.158226D+01 -0.386381D+01  0.589956D+00
      3  -0.218708D-01 -0.158226D+01  0.249055D+01  0.199305D+01 -0.635779D+00
               156           157           158           159           160 
      1   0.199305D+01 -0.452615D+01  0.942257D+00 -0.855708D+00  0.223868D+01
      2  -0.635779D+00  0.942257D+00  0.407984D+01  0.223268D+01 -0.787949D+00
      3   0.290888D+01 -0.855708D+00  0.223268D+01 -0.714288D+00  0.392594D+01
               161           162           163           164           165 
      1  -0.787949D+00  0.392594D+01 -0.117570D+00 -0.489610D+01  0.162601D+01
      2   0.222938D+01 -0.682637D+00 -0.489610D+01  0.484607D+00 -0.940788D+00
      3  -0.682637D+00 -0.453893D+01  0.162601D+01 -0.940788D+00  0.233222D+01
               166           167           168           169           170 
      1  -0.473976D+01 -0.256021D-01 -0.976257D+00  0.186125D+01 -0.111725D+01
      2  -0.256021D-01  0.215829D+01  0.267551D+01 -0.111725D+01  0.290298D+01
      3  -0.976257D+00  0.267551D+01 -0.396980D+00  0.286595D+01 -0.116078D+01
               171           172           173           174           175 
      1   0.286595D+01  0.461755D+01 -0.240834D+01  0.250723D+01 -0.253970D+01
      2  -0.116078D+01 -0.240834D+01  0.194662D+01 -0.135725D+01  0.173650D+01
      3  -0.518412D+01  0.250723D+01 -0.135725D+01  0.290877D+01 -0.108680D+01
               176           177           178           179           180 
      1   0.173650D+01 -0.108680D+01  0.152137D+01 -0.663578D+00  0.160776D+01
      2  -0.232543D+01  0.200007D+01 -0.663578D+00  0.109532D+01 -0.108524D+01
      3   0.200007D+01 -0.181059D+01  0.160776D+01 -0.108524D+01  0.183734D+01
               181           182           183           184           185 
      1  -0.411591D+01 -0.226623D+01  0.231948D+01 -0.237171D+01 -0.159344D+01
      2  -0.226623D+01 -0.182138D+01  0.128610D+01 -0.159344D+01 -0.218783D+01
      3   0.231948D+01  0.128610D+01 -0.280328D+01  0.101138D+01  0.189803D+01
               186           187           188           189           190 
      1   0.101138D+01  0.160522D+01  0.724164D+00 -0.165469D+01  0.156766D+00
      2   0.189803D+01  0.724164D+00  0.109649D+01 -0.103135D+01  0.315650D+00
      3  -0.181236D+01 -0.165469D+01 -0.103135D+01  0.197454D+01  0.110389D+01
               191           192           193           194           195 
      1   0.315650D+00  0.110389D+01  0.679243D+00  0.357943D-01  0.197011D+00
      2   0.877734D-01  0.153407D+00  0.357943D-01  0.403744D+01  0.261311D+01
      3   0.153407D+00  0.234699D+00  0.197011D+00  0.261311D+01  0.415979D+01
               196           197           198           199           200 
      1   0.782374D+00  0.602176D-01  0.616341D-01 -0.432062D+00 -0.997583D+00
      2   0.602176D-01  0.188649D+01  0.230111D+01 -0.997583D+00 -0.931298D+00
      3   0.616341D-01  0.230111D+01  0.392742D+01 -0.584840D+00 -0.471180D-01
               201           202           203           204           205 
      1  -0.584840D+00 -0.215458D+01 -0.164611D+01  0.668283D-01 -0.978311D+00
      2  -0.471180D-01 -0.164611D+01 -0.600187D+01 -0.111231D+01 -0.139718D+00
      3  -0.321673D+00  0.668283D-01 -0.111231D+01 -0.104512D+01 -0.585696D+00
               206           207           208           209           210 
      1  -0.139718D+00 -0.585696D+00 -0.722004D+01  0.199908D+01 -0.209484D+01
      2  -0.115992D+01 -0.901638D+00  0.199908D+01 -0.115034D+01  0.500332D+00
      3  -0.901638D+00 -0.240421D+00 -0.209484D+01  0.500332D+00 -0.152935D+01
               211           212           213           214           215 
      1   0.377859D+01 -0.180839D+01  0.817596D+00 -0.380058D+01  0.855911D+00
      2  -0.180839D+01  0.134452D+01 -0.908331D+00  0.855911D+00 -0.110173D+01
      3   0.817596D+00 -0.908331D+00  0.956225D+00 -0.238642D+01  0.754196D+00
               216           217           218           219           220 
      1  -0.238642D+01 -0.243867D+01  0.307101D+00  0.177064D+01  0.798688D+00
      2   0.754196D+00  0.307101D+00 -0.321121D+00  0.140560D+00 -0.697502D+00
      3  -0.140070D+01  0.177064D+01  0.140560D+00 -0.190637D+01  0.207666D-01
               221           222           223           224           225 
      1  -0.697502D+00  0.207666D-01  0.345237D+01  0.238750D+00 -0.345677D+01
      2  -0.241544D+00  0.729448D+00  0.238750D+00  0.851158D+00 -0.103040D-01
      3   0.729448D+00  0.257586D+00 -0.345677D+01 -0.103040D-01  0.651765D+01
               226           227           228           229           230 
      1   0.396870D+01  0.192291D+01 -0.472606D+00  0.209828D+01  0.182710D+01
      2   0.192291D+01  0.285868D+01  0.345520D+00  0.182710D+01  0.337668D+01
      3  -0.472606D+00  0.345520D+00  0.664570D+00  0.665821D-01 -0.161454D+00
               231           232           233           234           235 
      1   0.665821D-01 -0.574570D+00  0.161331D+00  0.392080D+00 -0.117594D+01
      2  -0.161454D+00  0.161331D+00 -0.590728D+00  0.640823D+00  0.993235D+00
      3   0.560260D+00  0.392080D+00  0.640823D+00  0.336855D+00  0.124529D+01
               236           237           238           239           240 
      1   0.993235D+00  0.124529D+01  0.413387D+00 -0.388351D+00 -0.111838D+00
      2  -0.656654D+00 -0.405823D+00 -0.388351D+00  0.325949D+00  0.996883D+00
      3  -0.405823D+00 -0.151097D+01 -0.111838D+00  0.996883D+00  0.579245D+00
               241           242           243           244           245 
      1   0.161406D+01 -0.780456D+00 -0.214661D+01 -0.489463D+01  0.362988D+01
      2  -0.780456D+00  0.204835D+01  0.208419D+01  0.362988D+01 -0.353247D+01
      3  -0.214661D+01  0.208419D+01  0.741410D+01 -0.119956D+01  0.720521D+00
               246           247           248           249           250 
      1  -0.119956D+01  0.263068D+01 -0.268461D+01  0.656482D+00 -0.215272D+01
      2   0.720521D+00 -0.268461D+01  0.380621D+01 -0.120273D+01  0.152614D+01
      3  -0.132609D+01  0.656482D+00 -0.120273D+01  0.675746D+00 -0.152143D+01
               251           252           253           254           255 
      1   0.152614D+01 -0.152143D+01  0.293122D+01  0.144579D+01 -0.343264D+00
      2  -0.246472D+01  0.128166D+01  0.144579D+01  0.108792D+01 -0.111005D+00
      3   0.128166D+01 -0.883822D+00 -0.343264D+00 -0.111005D+00  0.486073D+00
               256           257           258           259           260 
      1  -0.113264D+01 -0.219732D+01 -0.116910D+00 -0.205773D+00  0.190346D+00
      2  -0.219732D+01 -0.454015D+01  0.304639D+00  0.190346D+00  0.381346D+00
      3  -0.116910D+00  0.304639D+00 -0.622629D+00  0.638312D+00 -0.780181D+00
               261           262           263           264           265 
      1   0.638312D+00 -0.245062D+01 -0.406310D+01  0.327084D+00 -0.568821D+01
      2  -0.780181D+00 -0.406310D+01  0.695866D-01  0.188304D+00 -0.112874D+01
      3   0.408773D+00  0.327084D+00  0.188304D+00  0.322609D+00  0.162764D+00
               266           267           268           269           270 
      1  -0.112874D+01  0.162764D+00  0.642845D+00  0.247635D+00 -0.109845D+01
      2   0.285844D+01  0.416817D+00  0.247635D+00  0.566991D+00  0.450229D+01
      3   0.416817D+00  0.389370D+01 -0.109845D+01  0.450229D+01 -0.107809D+01
               271           272           273           274           275 
      1   0.136949D+01  0.237200D+01 -0.281763D+00  0.783415D+01  0.329540D+01
      2   0.237200D+01  0.114270D+01  0.241119D-01  0.329540D+01  0.100265D+02
      3  -0.281763D+00  0.241119D-01  0.243754D+00  0.814065D-01 -0.496532D+00
               276           277           278           279           280 
      1   0.814065D-01 -0.654711D+00 -0.152804D+00  0.113540D+01  0.935538D+00
      2  -0.496532D+00 -0.152804D+00 -0.597739D+00  0.236444D+01 -0.171013D+00
      3   0.185165D+01  0.113540D+01  0.236444D+01 -0.657123D+00  0.988109D+00
               281           282           283           284           285 
      1  -0.171013D+00  0.988109D+00 -0.127812D+01  0.131244D+01 -0.585968D+00
      2  -0.353765D-01 -0.115926D+00  0.131244D+01 -0.350357D+01  0.191658D+01
      3  -0.115926D+00  0.135696D+00 -0.585968D+00  0.191658D+01 -0.249392D+01
               286           287           288           289           290 
      1   0.250706D+01 -0.106303D+01  0.147365D+01  0.912564D+01  0.184185D+01
      2  -0.106303D+01  0.248576D+01 -0.288378D+01  0.184185D+01  0.132773D+01
      3   0.147365D+01 -0.288378D+01  0.494489D+01 -0.219304D+00 -0.495047D-01
               291           292           293           294           295 
      1  -0.219304D+00  0.404797D+01  0.162851D+01 -0.555892D-01 -0.542302D+00
      2  -0.495047D-01  0.162851D+01  0.142856D+01 -0.126202D+00 -0.648754D-01
      3   0.111062D+01 -0.555892D-01 -0.126202D+00  0.320136D+00  0.135663D+01
               296           297           298           299           300 
      1  -0.648754D-01  0.135663D+01  0.776270D+00 -0.247661D+00 -0.855041D+00
      2  -0.178496D+00 -0.645333D-01 -0.247661D+00 -0.149257D+00  0.333802D-01
      3  -0.645333D-01 -0.534413D-01 -0.855041D+00  0.333802D-01 -0.267396D-01
               301           302           303           304           305 
      1  -0.157009D+01  0.145597D+01  0.425179D+00 -0.226021D+01  0.918785D+00
      2   0.145597D+01 -0.455332D+01 -0.208824D+01  0.918785D+00 -0.276922D+01
      3   0.425179D+00 -0.208824D+01 -0.251015D+01  0.110173D+01 -0.281275D+01
               306 
      1   0.110173D+01
      2  -0.281275D+01
      3  -0.354981D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.267722D+01 -0.124602D+01 -0.645631D+01 -0.134440D+01  0.985043D+01
      2   0.238727D+01  0.750675D+01  0.167387D+02  0.589956D+01  0.174263D+01
      3  -0.409289D+00 -0.622844D+01 -0.566417D+01 -0.140477D+01 -0.764379D+01
                 6             7             8             9            10 
      1   0.274797D+01 -0.602244D+01  0.804049D+01 -0.816641D+01 -0.104831D+01
      2  -0.189356D+01  0.761586D+01 -0.313515D+01 -0.885144D+01  0.165443D+01
      3  -0.172586D+00 -0.280468D+01 -0.704900D+00  0.904132D+01  0.804094D+01
                11            12            13            14            15 
      1  -0.471473D+01  0.525022D+01 -0.491759D+01 -0.815009D+01 -0.986595D+01
      2  -0.507039D+00  0.274036D+01 -0.250083D+00  0.191109D+01  0.186962D+01
      3  -0.133530D+02  0.119902D+01 -0.717389D+01  0.224154D+00  0.288707D+01
                16            17            18            19            20 
      1   0.376714D+01 -0.207453D+01  0.653498D+01  0.662823D+01  0.544481D+00
      2  -0.238139D+01  0.136476D+01 -0.441752D+00 -0.604042D+01 -0.380626D+01
      3  -0.123144D+00  0.239195D+01 -0.528808D+01 -0.748965D+01 -0.467331D+01
                21            22            23            24            25 
      1   0.510130D+00  0.142784D+01 -0.929181D+01 -0.561205D+01 -0.726437D-01
      2  -0.370728D+01 -0.409623D+01 -0.259350D+01  0.143678D+01 -0.131484D+02
      3  -0.254844D+01  0.268369D+01  0.604365D+01  0.154829D+01 -0.218878D+01
                26            27            28            29            30 
      1   0.158088D+01  0.675581D+01 -0.792363D+01 -0.305076D-01  0.434936D+01
      2   0.297004D+01  0.122984D+02  0.407804D+01  0.386300D+01  0.505066D+01
      3   0.130781D+01 -0.268872D+01  0.237379D+01  0.151647D+01  0.422484D+01
                31            32            33            34            35 
      1  -0.511557D+00  0.970090D+01 -0.796066D+01  0.562889D+01 -0.898870D+00
      2   0.668364D+01 -0.107597D+01 -0.345648D+00 -0.148012D+01 -0.186528D+00
      3   0.826759D+01  0.276124D+01 -0.146250D+01  0.371914D+01 -0.675901D+00
                36            37            38            39            40 
      1  -0.165095D+01  0.108161D+01  0.961048D+00 -0.207403D+01 -0.432928D+00
      2  -0.682600D+01  0.364253D+01 -0.251966D+01  0.186449D+01 -0.417213D+01
      3  -0.394987D+01 -0.155114D+01  0.293118D+01  0.795381D+00  0.589497D+01
                41            42            43            44            45 
      1   0.123066D+01 -0.218717D+01 -0.433719D+01  0.168639D+01 -0.401180D+01
      2  -0.154792D+01 -0.168355D+01 -0.448143D+01 -0.231939D+01  0.159881D+01
      3   0.728389D+00  0.106445D+01 -0.529349D+00 -0.226769D+00  0.119431D+01
                46            47            48            49            50 
      1  -0.298681D+01  0.645938D+00 -0.310826D+00  0.171372D+01  0.393821D+01
      2  -0.227089D+01  0.436032D+01  0.698498D+00  0.448794D+01 -0.334809D+01
      3  -0.322163D+01  0.275125D+00 -0.179355D+01  0.821326D+01 -0.157379D+01
                51            52            53            54            55 
      1   0.139448D+01  0.160663D+00  0.971367D+01  0.838240D+00  0.207835D+01
      2  -0.268371D-01 -0.933274D+01 -0.508821D-01  0.139098D+01 -0.100004D+02
      3   0.194165D+01 -0.190272D+01  0.362272D+01  0.111140D+01  0.677418D+01
                56            57            58            59            60 
      1   0.433694D+01 -0.137085D+01  0.303812D+01  0.230759D+01 -0.111522D+01
      2  -0.322853D+01 -0.448381D+00 -0.354441D+01 -0.277127D+01  0.313010D+00
      3  -0.154077D+01  0.189070D+01  0.197577D+01 -0.662240D+00 -0.154438D+00
                61            62            63            64            65 
      1  -0.443306D+00  0.951723D+00  0.145754D+00 -0.892124D+00 -0.254097D+01
      2  -0.241787D+01  0.243438D-01  0.605144D+00  0.936833D+01 -0.427088D+01
      3   0.152196D+01 -0.460600D+00  0.105600D+00 -0.612326D+01  0.213686D+01
                66            67            68            69            70 
      1   0.403763D+01 -0.841301D+00 -0.175322D+00 -0.853079D+00  0.250492D+01
      2  -0.900558D+01 -0.249703D+01  0.384730D+01  0.296656D+01 -0.898942D+01
      3   0.561088D+01  0.322585D+01 -0.208428D+01 -0.309056D+01  0.433407D+01
                71            72            73            74            75 
      1   0.257338D+01 -0.499437D+01  0.131014D+01  0.367528D+00  0.353225D+01
      2   0.429696D+01  0.126634D+02  0.490323D+00 -0.319089D+00  0.104231D+01
      3  -0.251160D+01 -0.709304D+01 -0.184569D+02  0.705226D+01 -0.751713D+00
                76            77            78            79            80 
      1  -0.849193D-01  0.128747D+01 -0.195836D+01  0.177371D+01  0.536009D-01
      2  -0.475025D+00  0.164221D+00 -0.897872D+00 -0.170665D+01  0.266628D+00
      3   0.804043D+01 -0.682533D+01 -0.282948D+00 -0.946350D-01 -0.633584D+00
                81            82            83            84            85 
      1  -0.310642D+00  0.216339D+01  0.202878D+01 -0.479110D+01  0.193961D+01
      2  -0.203870D-01 -0.237189D+00 -0.566127D+00  0.225108D+01  0.156007D-01
      3  -0.211740D+01  0.620916D+01  0.172518D+01 -0.184598D+01  0.459910D+01
                86            87            88            89            90 
      1   0.407966D+01 -0.440418D+01 -0.251682D+01 -0.131205D+01  0.449490D+01
      2  -0.952381D+00  0.176357D+01 -0.447950D+00  0.118968D+01 -0.128725D+01
      3  -0.216322D-01 -0.579512D+00 -0.232166D+01 -0.328108D-01  0.140012D+01
                91            92            93            94            95 
      1   0.217446D+01 -0.365397D+00  0.169484D+01  0.152876D+00  0.959303D+00
      2   0.348805D+01 -0.240070D+01  0.128767D+02 -0.340845D+01  0.682039D+01
      3   0.138945D+02 -0.391886D+01  0.746207D+00  0.810026D+01 -0.925968D+01
                96            97            98            99           100 
      1  -0.514170D+01  0.185497D+01  0.267254D+01 -0.430955D+01 -0.228310D+01
      2  -0.176980D+01  0.480258D+01 -0.191247D+01 -0.121956D+02 -0.296130D+01
      3  -0.687342D+01  0.137228D+01 -0.613208D+01 -0.213994D+00  0.513220D+00
               101           102           103           104           105 
      1   0.301900D+01  0.130563D+00  0.195856D+01 -0.345294D+01  0.136183D+01
      2   0.153217D+01  0.225069D+01  0.247295D+01  0.106393D+01 -0.240431D+01
      3  -0.275087D+01  0.537623D+00  0.217490D+00  0.302735D+01 -0.315180D+01
               106           107           108           109           110 
      1  -0.377286D+00  0.465567D+01 -0.102599D+01 -0.181929D+01 -0.710285D+00
      2  -0.149391D+01 -0.155792D+01  0.397338D+01 -0.734919D-01  0.166683D+01
      3  -0.431678D+00 -0.307541D+01  0.206360D+01  0.784713D+00  0.760478D+00
               111           112           113           114           115 
      1  -0.447010D+00 -0.114931D+01 -0.125707D+02 -0.120176D+01 -0.248386D+00
      2  -0.563720D-02  0.286956D+01  0.248116D+01  0.398212D+00 -0.147758D+01
      3  -0.391956D+00  0.522225D+01 -0.144212D+01 -0.113765D+00 -0.401504D+00
               116           117           118           119           120 
      1   0.801183D+00 -0.107528D+01  0.411018D+01 -0.216331D+01 -0.335017D+01
      2  -0.227412D-01  0.126239D+01  0.824219D+01 -0.983057D+00 -0.138088D+01
      3  -0.347353D+00  0.508155D+00  0.444320D+01 -0.233310D+01 -0.339509D+01
               121           122           123           124           125 
      1  -0.187929D+01  0.193454D+01  0.281881D+01 -0.287205D+01  0.426247D+01
      2  -0.395728D+01  0.105692D+01 -0.471986D-02 -0.563824D+01 -0.297490D+00
      3  -0.840697D+00  0.166188D+01  0.127319D+01 -0.323458D+01  0.156082D+01
               126           127           128           129           130 
      1   0.597323D+01  0.646409D+00 -0.338180D-01 -0.679407D+00 -0.797254D-02
      2   0.309628D+01  0.975718D-01  0.845263D-01  0.433734D+00 -0.123731D+01
      3   0.389922D+01  0.123788D+01  0.830053D+00  0.538092D+00  0.561760D+01
               131           132           133           134           135 
      1   0.604744D+00 -0.224902D+01  0.484487D+00  0.872953D+00 -0.198815D+01
      2   0.181389D+01  0.181713D+01 -0.312654D+01  0.106148D+01  0.255989D+01
      3  -0.201365D+01 -0.918669D+00  0.195032D+01 -0.938052D+00 -0.181048D+00
               136           137           138           139           140 
      1  -0.503952D+00  0.115049D+00 -0.342753D+00  0.121829D+00 -0.154035D+01
      2  -0.773098D+00 -0.948457D+00  0.709201D+01  0.182708D+01  0.512826D+00
      3   0.119519D+02 -0.774499D+01  0.160568D+01  0.112005D+02  0.532693D+01
               141           142           143           144           145 
      1  -0.341367D+01  0.963219D+00  0.127852D+01  0.308979D+00  0.976905D+01
      2  -0.149628D+01 -0.666391D+01 -0.234779D+01  0.476578D+00  0.221868D+01
      3  -0.649732D+00 -0.669275D-01  0.216832D+00  0.178439D+01  0.295762D+01
               146           147           148           149           150 
      1  -0.536905D+00 -0.771227D-01 -0.660834D+00 -0.753716D+01 -0.178318D+02
      2  -0.129720D+02  0.152401D+02 -0.128780D+02  0.267159D+01  0.477681D+00
      3  -0.640021D+01  0.371759D+01 -0.239790D+01 -0.315494D+00 -0.193802D+01
               151           152           153           154           155 
      1  -0.324444D+00 -0.952501D+01 -0.318579D+01 -0.965428D+00  0.108358D+00
      2   0.669171D+01  0.117821D+01 -0.175012D+01 -0.819577D+01  0.371180D+01
      3   0.254356D+01 -0.213695D+01 -0.988287D+00 -0.154312D+02  0.159024D+01
               156           157           158           159           160 
      1   0.657258D+00  0.745671D+00  0.286767D+01 -0.115025D+01  0.150835D+01
      2  -0.104151D+02  0.476774D+01 -0.954488D+01  0.257931D+01 -0.211650D+02
      3  -0.276912D+01  0.943829D+01  0.187350D+02  0.895214D+01 -0.357353D+01
               161           162           163           164           165 
      1   0.309808D+01 -0.111891D+01 -0.829583D+01  0.228481D+01 -0.615773D+01
      2   0.212456D+01  0.175878D+02 -0.339714D+01  0.698644D+01 -0.415648D+01
      3   0.916152D+01 -0.279159D+01 -0.126233D+02 -0.159204D+02  0.110768D+01
               166           167           168           169           170 
      1   0.216433D+01 -0.612599D+01  0.116727D+01 -0.839707D+01  0.944538D+01
      2   0.609340D+01 -0.566985D+01  0.152461D+01 -0.103113D+02  0.387254D+01
      3  -0.104667D+02  0.335619D+01  0.381892D+01  0.187456D+01  0.396006D+01
               171           172           173           174           175 
      1   0.138153D+02 -0.488709D+01  0.515620D+01 -0.195573D+00  0.398763D+01
      2   0.106693D+02 -0.155797D+02  0.732784D+01 -0.626922D+01  0.852499D+01
      3   0.336145D+01 -0.692051D+01  0.164467D+01 -0.293334D+01  0.499377D+01
               176           177           178           179           180 
      1  -0.474884D+01  0.190547D+01 -0.875363D+00  0.318731D+01 -0.115543D+01
      2  -0.593267D+01  0.314459D+01 -0.668115D+01  0.286699D+01 -0.479553D+01
      3  -0.210048D+01  0.205328D+01 -0.213159D+01  0.698542D+00 -0.201607D+01
               181           182           183           184           185 
      1  -0.442366D+01 -0.503272D+01 -0.788653D-01 -0.367152D+01 -0.431559D+01
      2   0.113960D+02  0.519810D+01 -0.189972D+01  0.665149D+01  0.286595D+01
      3   0.316037D+01 -0.110001D+01 -0.781233D+00  0.229212D+01 -0.977083D+00
               186           187           188           189           190 
      1   0.180957D+01  0.725867D+00  0.335350D+01 -0.115289D+01  0.169960D+01
      2  -0.555607D+00 -0.449608D+01 -0.140064D+01  0.222227D+01 -0.839724D+00
      3   0.609591D+00 -0.984881D+00  0.722127D+00  0.656597D+00  0.199331D+00
               191           192           193           194           195 
      1  -0.109575D+00  0.644522D+00 -0.271264D+00  0.162449D+02  0.804741D+01
      2  -0.114042D+01 -0.203880D+01 -0.358911D+01 -0.124685D+01 -0.277198D+01
      3  -0.540293D+00 -0.567616D+00  0.174002D+01  0.203831D+01  0.156747D+01
               196           197           198           199           200 
      1   0.250771D+00  0.895224D+01  0.861379D+01 -0.633417D+00 -0.113534D+00
      2  -0.362651D+01 -0.157846D+01 -0.266108D+01  0.210614D+01  0.558503D+00
      3   0.220267D+00  0.122148D+01  0.128454D+01 -0.376756D+01 -0.309196D+01
               201           202           203           204           205 
      1  -0.391334D+00 -0.657878D-01 -0.295893D+01 -0.347664D+01 -0.902349D-01
      2   0.166176D+01 -0.181485D+00  0.517345D+01  0.518401D+01  0.905784D+00
      3   0.203487D+00 -0.117808D+01 -0.256085D+02 -0.546739D+01  0.560691D+00
               206           207           208           209           210 
      1  -0.293378D+00 -0.864914D+00  0.291377D-01  0.470651D+00  0.252207D+00
      2   0.392081D+01  0.167544D+01  0.941146D+01 -0.270039D+01  0.861346D+01
      3  -0.545576D+01 -0.353286D+01  0.865733D+01 -0.717447D+01  0.276257D+01
               211           212           213           214           215 
      1  -0.267913D+00 -0.513596D+00 -0.104246D+01 -0.234193D+00  0.110833D+01
      2  -0.368484D+01  0.400309D+01 -0.497069D+01  0.821236D+01 -0.310482D+01
      3  -0.550100D+01  0.628383D+01 -0.365629D+01  0.345944D+01 -0.570081D+01
               216           217           218           219           220 
      1   0.383814D+00  0.579816D+00 -0.666630D+00 -0.712999D+00 -0.132697D+00
      2   0.688669D+01 -0.524777D+01 -0.649127D+00  0.781850D+01 -0.621901D+00
      3   0.330307D+01  0.169691D+01 -0.221880D+01  0.203744D-01 -0.156749D+01
               221           222           223           224           225 
      1   0.157653D+00 -0.415857D+00 -0.703968D+00  0.291021D+01  0.197047D+01
      2  -0.236517D+01 -0.829516D+00  0.867215D+01 -0.159142D-01 -0.257587D+02
      3  -0.947214D+00  0.234536D+01  0.471251D+00  0.445379D+01  0.330795D+00
               226           227           228           229           230 
      1   0.346272D+01  0.141196D+01 -0.313661D+01  0.177213D+01  0.273425D+01
      2  -0.304291D+01 -0.215952D+01  0.484996D+00 -0.191271D+01 -0.110067D+01
      3   0.185674D+02  0.940393D+01 -0.134545D+01  0.117898D+02  0.106955D+02
               231           232           233           234           235 
      1  -0.290486D+01 -0.164932D+01 -0.906331D+00  0.267463D-01 -0.213302D+01
      2  -0.229840D+00 -0.131778D+01 -0.117118D+01 -0.838726D+00 -0.152684D+01
      3  -0.579553D+00 -0.186295D+01 -0.955115D+00  0.253038D+01 -0.681916D-02
               236           237           238           239           240 
      1  -0.254469D-03  0.332979D+01  0.307589D+00 -0.241515D+01 -0.126328D+01
      2   0.370538D+00  0.321768D+01 -0.856467D-01 -0.202502D+01 -0.796270D+00
      3  -0.379089D+00  0.160072D+01  0.970893D+00 -0.310766D+00  0.161949D+01
               241           242           243           244           245 
      1   0.423777D+01  0.214724D+00 -0.179053D+02  0.556856D+01 -0.358166D+01
      2   0.601422D+00 -0.375451D+01 -0.157315D+02  0.508360D+01 -0.375150D+01
      3   0.258409D+01  0.380478D+01  0.157492D+00 -0.395572D+01 -0.197562D+01
               246           247           248           249           250 
      1   0.504963D+01 -0.348858D+01  0.503516D+01 -0.399759D+01  0.435380D+01
      2   0.550610D+01 -0.296732D+01  0.433834D+01 -0.278672D+01  0.344025D+01
      3  -0.151984D+01  0.217639D+01  0.284251D+01 -0.932698D+00 -0.248473D+01
               251           252           253           254           255 
      1  -0.309188D+01  0.356666D+01 -0.214567D+00 -0.250922D+00 -0.131064D+01
      2  -0.352941D+01  0.353871D+01 -0.261234D+01 -0.939886D+00 -0.106587D+02
      3  -0.306620D+01 -0.549120D+00 -0.956148D+01 -0.514590D+00  0.741626D+00
               256           257           258           259           260 
      1   0.376602D+00  0.131406D+01  0.693665D+01  0.368520D-01  0.919996D+01
      2  -0.203414D+01  0.215751D+01 -0.697396D+01 -0.197633D+02 -0.978564D+00
      3   0.351657D+01  0.201363D+02 -0.177491D+01  0.208231D+01 -0.213069D+01
               261           262           263           264           265 
      1  -0.162146D+01 -0.187766D+00  0.436741D+00  0.167381D+01 -0.172253D-02
      2   0.176577D+01  0.165850D+01  0.151537D+01  0.596930D+01  0.177980D+01
      3   0.252193D+01  0.204618D+02 -0.914938D+00 -0.114058D+01  0.136402D+02
               266           267           268           269           270 
      1   0.827692D+00  0.155841D+01 -0.310094D+01  0.744390D+01 -0.659410D+00
      2   0.196689D+01  0.167568D+02 -0.855378D+01  0.216794D+02 -0.496390D+01
      3  -0.114677D+02 -0.197630D+01 -0.144548D+01 -0.294670D+01 -0.199061D+02
               271           272           273           274           275 
      1   0.741977D+00  0.389951D+00  0.816850D+00  0.146118D+00  0.100372D+00
      2  -0.117960D+01 -0.521944D-01  0.663568D+01  0.485084D+00 -0.246368D+01
      3  -0.847952D+01 -0.612983D+01 -0.495826D+00  0.233524D+01 -0.362568D+02
               276           277           278           279           280 
      1  -0.943496D+01  0.208022D+00  0.551812D+00  0.108787D+01  0.587130D+00
      2   0.104773D+02  0.458055D+01  0.729279D+01 -0.311722D+01  0.396099D+01
      3   0.209063D+01 -0.115734D+01  0.246736D+01 -0.745054D+01  0.472345D+00
               281           282           283           284           285 
      1  -0.122990D+00 -0.899300D-01 -0.566285D+00  0.950654D+00 -0.323439D+01
      2  -0.231045D+00  0.529911D+00 -0.188039D+01  0.857309D+01 -0.110237D+02
      3  -0.379893D+00 -0.530586D+00 -0.310487D+01  0.141001D+02 -0.795365D+01
               286           287           288           289           290 
      1   0.107612D+01 -0.834359D+00  0.477550D+01 -0.112819D+00 -0.372423D-02
      2   0.413228D+01 -0.128085D+02  0.217633D+02 -0.197033D+01 -0.499047D+00
      3   0.152355D+01 -0.101828D+02  0.119725D+02 -0.143977D+02 -0.948934D+01
               291           292           293           294           295 
      1   0.303941D+00  0.841554D-01 -0.384528D-01 -0.783997D+00  0.830301D+00
      2   0.676834D+01 -0.635337D+00 -0.764409D+00  0.193749D+01  0.465009D+01
      3   0.489540D+00 -0.827441D+01 -0.809086D+01  0.636466D+00  0.686482D+00
               296           297           298           299           300 
      1   0.501355D+00 -0.448748D-01 -0.642733D+00 -0.534740D-01 -0.259759D+00
      2  -0.303999D+00 -0.458889D+00 -0.372363D+01 -0.236501D+00  0.177055D+00
      3   0.961672D+00 -0.345477D+00  0.925596D+00  0.330675D+00  0.882995D+00
               301           302           303           304           305 
      1   0.747647D+00 -0.209175D+01 -0.392532D+01  0.973261D+00 -0.159815D+01
      2   0.155001D+01 -0.976193D+01 -0.111858D+02  0.333283D+01 -0.127121D+02
      3  -0.317894D+01  0.187196D+02  0.892935D+01 -0.116384D+01  0.117626D+02
               306 
      1  -0.425038D+01
      2  -0.159451D+02
      3   0.118853D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.202234D+01 -0.102362D+02 -0.188787D+02 -0.800972D+01 -0.990581D+01
      2   0.734826D+01  0.367483D+01 -0.404132D+01  0.408780D+01  0.100056D+02
      3  -0.532593D+01  0.656141D+01  0.229201D+02  0.392191D+01 -0.998310D-01
      4  -0.157171D+02 -0.100566D+02 -0.125226D+02 -0.858306D+01  0.577630D+01
      5  -0.166385D+02 -0.144142D+02 -0.904893D+01 -0.118396D+02 -0.903023D+00
      6  -0.209621D+02 -0.667766D+01  0.495071D+01 -0.511573D+01  0.835684D+01
                 6             7             8             9            10 
      1   0.192256D+01 -0.132808D+02  0.259034D+01  0.139484D+02  0.893954D+01
      2   0.795033D+01 -0.363458D+01  0.625595D+01 -0.682041D+01 -0.200540D+02
      3  -0.987289D+01  0.169154D+02 -0.884629D+01 -0.712801D+01  0.111144D+02
      4  -0.771190D+00 -0.775964D+01 -0.219290D+00  0.236665D-01  0.147031D+01
      5  -0.658373D+01 -0.254419D+01 -0.497182D+01  0.110549D+02  0.406268D+01
      6  -0.543261D+01  0.441583D+01 -0.725816D+01 -0.827223D+01  0.510519D+01
                11            12            13            14            15 
      1  -0.147875D+01 -0.128246D+00 -0.289279D+01 -0.748332D+00 -0.518357D+01
      2  -0.168377D+01  0.865513D+01 -0.669848D+00 -0.264402D+01  0.115476D+02
      3   0.316252D+01 -0.852688D+01  0.356264D+01  0.339235D+01 -0.636398D+01
      4  -0.165477D+02  0.609744D+01 -0.122835D+02 -0.237213D+01  0.962101D+01
      5   0.498475D+01 -0.418728D+01  0.432719D+01  0.742971D+01  0.348807D+01
      6   0.779763D+01 -0.595764D+01  0.602059D+01  0.953231D+01  0.183063D+01
                16            17            18            19            20 
      1  -0.201619D+01 -0.581831D+01 -0.429620D+01  0.190870D+00  0.509561D+01
      2   0.839948D+01  0.139794D+02  0.103206D+02 -0.364176D+00 -0.548609D+01
      3  -0.638329D+01 -0.816109D+01 -0.602444D+01  0.173306D+00  0.390470D+00
      4   0.385670D+01  0.996965D+01 -0.301907D+01  0.856240D+01 -0.389217D+01
      5  -0.389025D+01  0.106114D+01 -0.519298D+01  0.501361D+00  0.107695D+02
      6  -0.482467D+01  0.214140D+01 -0.354196D+01  0.114260D+02  0.375455D+00
                21            22            23            24            25 
      1   0.767410D+01  0.538906D+01  0.432635D+01 -0.787030D+00  0.938320D+01
      2   0.962451D+01 -0.637042D+01  0.834489D+00 -0.895417D+01  0.605998D+01
      3  -0.172986D+02  0.981360D+00 -0.516084D+01  0.974120D+01 -0.154432D+02
      4   0.735477D+01 -0.410682D+01 -0.724227D+01 -0.862305D+01  0.605319D+01
      5  -0.146222D+02  0.104827D+02 -0.942683D+01  0.115952D+02 -0.185002D+02
      6   0.933521D+01 -0.210762D+01 -0.882945D+01 -0.769488D+01  0.796572D+01
                26            27            28            29            30 
      1  -0.188476D+01 -0.157819D+02 -0.162206D+01  0.163178D+01 -0.895528D+01
      2  -0.565650D+01  0.904420D+01  0.864697D+01 -0.278716D+01 -0.677614D+01
      3   0.754126D+01  0.673774D+01 -0.702491D+01  0.115538D+01  0.157314D+02
      4  -0.591037D+01  0.134577D+02  0.155619D+01  0.179548D+01 -0.222734D+00
      5   0.126969D+02 -0.740533D+01 -0.106124D+01 -0.431515D+01 -0.639027D+01
      6  -0.529645D+01  0.854241D+01 -0.743176D+01  0.431283D+00 -0.345320D+01
                31            32            33            34            35 
      1   0.117094D+01  0.125348D+02  0.196335D+01 -0.104860D+02  0.286304D+01
      2  -0.425834D+01 -0.194618D+02  0.999590D+01 -0.497477D+01  0.468039D+01
      3   0.308740D+01  0.692700D+01 -0.119592D+02  0.154607D+02 -0.754343D+01
      4   0.195614D+01  0.350750D+00  0.125258D+01 -0.158382D+01  0.433809D-01
      5  -0.558115D+01  0.560302D+01  0.200575D+01 -0.323139D+01 -0.310152D+00
      6   0.214950D+01  0.181128D+02 -0.120389D+01 -0.429174D+01  0.171463D+01
                36            37            38            39            40 
      1  -0.360612D+01 -0.285284D+02  0.196367D+01  0.106695D+01  0.109044D+02
      2   0.461601D+01  0.147069D+02 -0.209418D+01  0.334207D+00 -0.377681D+01
      3  -0.100988D+01  0.138215D+02  0.130512D+00 -0.140116D+01 -0.712759D+01
      4  -0.353920D+01 -0.217128D+01 -0.817734D+01  0.100446D+01 -0.340438D+01
      5   0.879518D+01  0.871743D+00  0.204982D+01 -0.778125D+01  0.303420D+01
      6  -0.722404D+01  0.407747D+01 -0.124727D+01 -0.372437D+00 -0.229628D+01
                41            42            43            44            45 
      1   0.319905D+01 -0.160858D+01  0.318541D+01 -0.272260D+01  0.869516D+01
      2  -0.442160D+00 -0.197027D+01 -0.457508D+00  0.131259D+01 -0.285363D+01
      3  -0.275689D+01  0.357885D+01 -0.272790D+01  0.141001D+01 -0.584153D+01
      4   0.308834D+00 -0.191338D+01  0.110675D+01 -0.868889D-01 -0.809041D+00
      5  -0.212923D+01 -0.227950D+01 -0.304704D+01 -0.202225D+01 -0.224616D+01
      6  -0.507181D+01 -0.787210D+01  0.421955D+00 -0.573825D+01 -0.154889D+00
                46            47            48            49            50 
      1  -0.174987D+02  0.749166D+01 -0.300175D+01  0.114869D+02 -0.582253D+01
      2   0.315373D+01 -0.532489D+00 -0.166631D+00 -0.475908D+01 -0.528169D+01
      3   0.143450D+02 -0.695917D+01  0.316838D+01 -0.672785D+01  0.111042D+02
      4   0.107116D+02 -0.181559D+01 -0.124554D+01 -0.991018D+00 -0.440457D-01
      5  -0.332107D+01 -0.488333D+01  0.396139D+01 -0.450030D+01 -0.495051D+01
      6  -0.831182D+01  0.707801D+00  0.746389D+00  0.106067D+01 -0.560412D+01
                51            52            53            54            55 
      1   0.546736D+01 -0.627270D+01  0.746504D+01 -0.422849D+00  0.204511D+02
      2  -0.899955D+01  0.127044D+01 -0.117962D+02  0.123261D+00 -0.123467D+02
      3   0.353219D+01  0.500226D+01  0.433116D+01  0.299588D+00 -0.810444D+01
      4  -0.689424D+01  0.128846D+01 -0.901079D+01  0.106355D+01  0.254892D+02
      5  -0.467590D+00  0.174001D+01 -0.175776D+01  0.556273D+01  0.287123D+02
      6   0.466403D+01 -0.645823D-01  0.140249D+01  0.332506D+01  0.168609D+02
                56            57            58            59            60 
      1   0.417156D+01  0.513859D+01  0.357971D+01  0.121133D+01 -0.129743D+01
      2   0.496342D+00 -0.641238D+01  0.144702D+01  0.382897D+01 -0.229155D+00
      3  -0.466790D+01  0.127380D+01 -0.502673D+01 -0.504030D+01  0.152658D+01
      4   0.176068D+02  0.134423D+02  0.156997D+02  0.141093D+02  0.824896D+01
      5   0.144573D+02  0.201367D+02  0.108740D+02  0.109715D+02  0.852619D+01
      6   0.134854D+02  0.116453D+02  0.106096D+02  0.113068D+02  0.103836D+02
                61            62            63            64            65 
      1   0.310525D+01 -0.120430D+01 -0.711780D+00 -0.805112D+01  0.863065D+01
      2  -0.473794D+01 -0.222483D+01 -0.492368D+01 -0.212170D+01 -0.377223D+01
      3   0.163269D+01  0.342913D+01  0.563546D+01  0.101728D+02 -0.485842D+01
      4   0.796248D+01  0.589516D+01  0.854795D+01 -0.307595D+01  0.282654D+01
      5   0.143801D+02  0.818540D+01  0.130499D+02 -0.548469D+01  0.374297D+01
      6   0.767830D+01  0.874472D+01  0.110762D+02  0.101458D+02 -0.834501D+01
                66            67            68            69            70 
      1   0.163216D+02  0.450440D+01 -0.853376D+01 -0.834589D+01  0.105251D+02
      2   0.363985D+01 -0.281034D+01  0.300745D+01  0.218283D+01  0.227981D+01
      3  -0.199615D+02 -0.169406D+01  0.552631D+01  0.616306D+01 -0.128050D+02
      4   0.517450D+01  0.282723D+01 -0.123860D+01  0.127168D+00  0.393861D+01
      5   0.733576D+01  0.269177D+01 -0.124218D+01  0.230177D+00  0.605323D+01
      6  -0.135096D+02 -0.452573D+01  0.869317D+01  0.136077D+02 -0.734622D+01
                71            72            73            74            75 
      1  -0.106529D+02 -0.281153D+02 -0.296926D+01  0.988716D+01  0.107771D+01
      2   0.352515D+00 -0.941686D+01  0.137074D+02 -0.178578D+02 -0.922120D+00
      3   0.103004D+02  0.375321D+02 -0.107381D+02  0.797068D+01 -0.155592D+00
      4   0.346523D+00 -0.187167D+01 -0.157658D+02  0.110261D+02 -0.122828D+01
      5   0.842067D+00 -0.146473D+01 -0.230011D+01  0.711854D+00  0.113172D+01
      6   0.145172D+02  0.242843D+02 -0.172944D+00 -0.202123D+01 -0.450139D+01
                76            77            78            79            80 
      1   0.606330D+01 -0.104276D+02  0.176679D-01  0.619865D+00  0.196732D+00
      2  -0.123425D+02  0.207231D+02 -0.165424D+01 -0.101722D+01 -0.128646D+01
      3   0.627919D+01 -0.102955D+02  0.163657D+01  0.397355D+00  0.108973D+01
      4   0.963781D+01 -0.800995D+01 -0.752289D+00 -0.229936D+00 -0.126974D+01
      5   0.503854D+00 -0.165109D+01 -0.581331D+00  0.234808D+01 -0.584269D+00
      6  -0.145221D+01  0.344333D+00  0.352748D+01 -0.389386D+01  0.526906D+01
                81            82            83            84            85 
      1  -0.229521D+01  0.394178D+01 -0.298444D+01 -0.439680D+00 -0.158615D+01
      2   0.168132D+01  0.809024D+01  0.144164D+02 -0.336673D+01  0.100691D+02
      3   0.613887D+00 -0.120320D+02 -0.114319D+02  0.380641D+01 -0.848298D+01
      4  -0.201238D+01  0.149184D+02  0.183789D+02 -0.615254D+01  0.145485D+02
      5   0.332280D+00 -0.428977D+01 -0.356447D+01  0.507963D+01 -0.255265D+01
      6   0.117500D+01 -0.444876D+01 -0.495374D+01  0.669517D+01 -0.366109D+01
                86            87            88            89            90 
      1  -0.117696D+02  0.356838D+01  0.164949D+00  0.538335D+01 -0.274499D+01
      2   0.307246D+02 -0.861553D+01 -0.332915D+01 -0.114498D+02  0.425708D+01
      3  -0.189550D+02  0.504715D+01  0.316420D+01  0.606644D+01 -0.151210D+01
      4   0.218181D+02 -0.688679D+01 -0.564093D+01 -0.823340D+01  0.715108D+01
      5  -0.538524D+01  0.358717D+01  0.455297D+01  0.436493D+01 -0.459986D+01
      6  -0.917954D+01  0.705610D+01  0.533033D+01  0.920630D+01 -0.743354D+01
                91            92            93            94            95 
      1  -0.317855D+01 -0.248345D+02  0.667990D+01 -0.294214D+02  0.895070D+01
      2   0.892914D+01  0.111269D+02 -0.278773D+01  0.143258D+02 -0.831784D+01
      3  -0.575059D+01  0.137076D+02 -0.389217D+01  0.150956D+02 -0.632856D+00
      4  -0.242948D+02  0.733195D+01 -0.214381D+01  0.516235D+01  0.127788D+02
      5   0.367653D+01 -0.283044D+00  0.130141D+02 -0.135125D+01  0.888737D+01
      6   0.354300D+01 -0.685166D+00 -0.207170D+01 -0.409794D+00 -0.211234D+01
                96            97            98            99           100 
      1  -0.150195D+01  0.670412D+01  0.442761D+00  0.179782D+02  0.953418D+01
      2  -0.204007D+01 -0.199673D+01 -0.485344D+01 -0.631478D+01 -0.120060D+02
      3   0.354202D+01 -0.470738D+01  0.441068D+01 -0.116634D+02  0.247186D+01
      4   0.117689D+02 -0.330224D+01  0.120440D+02 -0.642928D+01 -0.106771D+02
      5  -0.444001D+01  0.151140D+02 -0.370592D+01 -0.166315D+02  0.205448D+02
      6  -0.919697D+00 -0.226340D+01  0.583885D+00  0.380195D+01 -0.864584D+01
               101           102           103           104           105 
      1  -0.313965D+01  0.238735D+01 -0.224275D+01 -0.327573D+01  0.390711D+01
      2   0.360660D+01 -0.110355D+02  0.297090D+01 -0.110002D+01  0.370523D+01
      3  -0.466950D+00  0.864819D+01 -0.728154D+00  0.437575D+01 -0.761233D+01
      4   0.877781D+01 -0.775509D+01  0.931505D+01 -0.960751D+01  0.972636D+01
      5  -0.986195D+01  0.227802D+02 -0.974761D+01  0.117260D+02 -0.122780D+02
      6   0.617103D+01 -0.792073D+01  0.719881D+01 -0.110167D+02  0.144747D+02
               106           107           108           109           110 
      1  -0.815407D+00  0.361047D+01 -0.804822D+01 -0.430997D+00 -0.799914D+00
      2  -0.955761D+01  0.447014D+01 -0.173856D+02  0.304128D+01  0.226923D+01
      3   0.103730D+02 -0.808061D+01  0.254338D+02 -0.261029D+01 -0.146932D+01
      4  -0.608272D+01  0.718848D+01 -0.104492D+02  0.865238D+00  0.564551D+01
      5   0.200894D+02 -0.110696D+02  0.291050D+02 -0.791728D+00 -0.239573D+01
      6  -0.737504D+01  0.116002D+02 -0.152452D+02 -0.336519D+01 -0.152467D+01
               111           112           113           114           115 
      1   0.105768D+01 -0.121694D+01 -0.251029D+02  0.929666D+01  0.271003D+01
      2   0.172261D+00  0.270620D+01  0.356662D+02 -0.736203D+01  0.628236D-01
      3  -0.122994D+01 -0.148926D+01 -0.105633D+02 -0.193463D+01 -0.277285D+01
      4  -0.126584D+01  0.573487D+01  0.150259D+01 -0.107606D+01 -0.230053D+00
      5   0.298884D+01 -0.339496D+01 -0.410587D+01  0.978352D+00  0.252354D+01
      6   0.123290D+01 -0.382195D+01 -0.270675D+02  0.126543D+02  0.173796D+01
               116           117           118           119           120 
      1   0.571184D+01 -0.530258D+01  0.256493D+01 -0.104671D+01  0.449345D+01
      2  -0.256536D+01  0.340111D+01 -0.103385D+02  0.150605D+01  0.759643D+01
      3  -0.314648D+01  0.190146D+01  0.777353D+01 -0.459340D+00 -0.120899D+02
      4   0.174356D-01  0.515634D+00  0.199501D+01  0.140988D+01 -0.161217D+01
      5   0.685926D+00 -0.166484D+01 -0.126410D+02  0.127698D+01  0.128391D+02
      6   0.966483D+01 -0.620087D+01  0.153651D+00 -0.255586D+01  0.213939D+01
               121           122           123           124           125 
      1  -0.486660D+00 -0.355652D+01 -0.308605D+01  0.383119D+01 -0.230351D+00
      2   0.293196D+01  0.833394D+00 -0.482263D+01  0.774080D+01 -0.265073D+01
      3  -0.244530D+01  0.272312D+01  0.790868D+01 -0.115720D+02  0.288108D+01
      4   0.123110D+01 -0.655573D+00 -0.103120D+01 -0.156739D+01 -0.108083D+01
      5   0.424415D+01 -0.293634D+01 -0.363922D+01  0.119836D+02 -0.416200D+00
      6  -0.252630D+01  0.216108D+00  0.441108D+01  0.227204D+01  0.437309D+01
               126           127           128           129           130 
      1  -0.124301D+02  0.697666D+01  0.113355D+01  0.110875D+01  0.348861D+01
      2  -0.137271D+02 -0.238352D+01 -0.132092D+00 -0.474533D+00 -0.139823D+01
      3   0.261572D+02 -0.459314D+01 -0.100146D+01 -0.634215D+00 -0.209038D+01
      4   0.189063D+01  0.240085D+01  0.287485D+01  0.188035D+01  0.406258D+01
      5  -0.134835D+02  0.217947D+01  0.143120D+01  0.272250D+01  0.210787D+01
      6  -0.193773D+01  0.283296D+01  0.112688D+01  0.162356D+01  0.149218D+01
               131           132           133           134           135 
      1  -0.816444D+01 -0.441650D+01  0.187850D+01 -0.376147D+01 -0.777487D+01
      2   0.991577D+01  0.404269D+01 -0.149579D+01  0.242671D+01  0.155666D+01
      3  -0.175133D+01  0.373814D+00 -0.382716D+00  0.133476D+01  0.621821D+01
      4   0.287418D+01  0.237815D+01  0.206103D+01  0.202742D+01  0.227182D+01
      5   0.234990D+01  0.257115D+01  0.352292D+01  0.251476D+01  0.406102D+01
      6   0.862205D+01  0.804349D+01  0.139092D+01  0.723291D+01  0.823505D+01
               136           137           138           139           140 
      1   0.219608D+02 -0.589181D+01  0.383212D+01 -0.217176D+02 -0.291099D+01
      2  -0.114271D+02  0.165002D+01 -0.192449D+01  0.117411D+02  0.497014D+01
      3  -0.105337D+02  0.424179D+01 -0.190764D+01  0.997651D+01 -0.205915D+01
      4  -0.435801D+01  0.148774D+02 -0.114811D+01  0.105320D+02 -0.528552D+01
      5   0.260938D+01 -0.103186D+01  0.144584D+02 -0.177708D+01  0.126513D+01
      6  -0.537516D+00 -0.409609D+00  0.315912D+00  0.266953D+00  0.194155D+00
               141           142           143           144           145 
      1   0.252258D+00  0.283326D+01  0.476011D+00 -0.425210D+01  0.110841D+02
      2   0.457645D+00 -0.904497D+00 -0.458707D-01  0.661805D+00 -0.120043D+01
      3  -0.709904D+00 -0.192876D+01 -0.430140D+00  0.359030D+01 -0.988362D+01
      4   0.143821D+01 -0.937261D+00 -0.420726D-01 -0.258442D+01 -0.676278D+01
      5   0.460272D+00  0.177385D+01 -0.115941D+01  0.733144D+00  0.416093D+01
      6   0.506867D+01  0.992697D+00  0.350606D+01 -0.711935D+00  0.250660D+02
               146           147           148           149           150 
      1  -0.632841D+01  0.484232D+01 -0.632173D+01  0.984761D+01  0.573252D+01
      2   0.337472D+01 -0.290350D+01  0.337876D+01  0.860859D+01  0.753834D+01
      3   0.295368D+01 -0.193882D+01  0.294297D+01 -0.184562D+02 -0.132709D+02
      4  -0.871213D+01  0.971858D+01 -0.859089D+01  0.190028D+01  0.548026D+01
      5   0.205926D+02 -0.166526D+02  0.205105D+02  0.424451D+01  0.183301D+01
      6  -0.159358D+01 -0.115369D+00 -0.154178D+01 -0.387605D+01 -0.205109D+02
               151           152           153           154           155 
      1   0.423981D+01  0.321123D+01 -0.661756D+01 -0.128643D+01  0.290466D+02
      2  -0.183153D+01  0.819417D+01 -0.517386D+01  0.114262D+01 -0.146451D+02
      3  -0.240828D+01 -0.114054D+02  0.117914D+02  0.143816D+00 -0.144015D+02
      4   0.596351D+01  0.491816D+01  0.130168D+01  0.289727D+02 -0.413098D+01
      5  -0.129464D+02  0.176147D+01 -0.365844D+01 -0.158346D+02  0.421735D+01
      6  -0.146227D+00 -0.148127D+02 -0.109943D+02 -0.101402D+01 -0.448380D+00
               156           157           158           159           160 
      1  -0.175091D+02  0.348005D+02 -0.650997D+01  0.772354D+01 -0.218081D+02
      2   0.568017D+01 -0.189791D+02 -0.579475D+00 -0.429308D+01  0.518060D+01
      3   0.118289D+02 -0.158214D+02  0.708944D+01 -0.343046D+01  0.166275D+02
      4   0.443819D+01 -0.762756D+01 -0.252757D+02 -0.144405D+02  0.670348D+01
      5  -0.202758D+02  0.728117D+01 -0.135694D+02  0.566857D+01 -0.301222D+02
      6  -0.445535D+00 -0.101114D+01  0.516149D+00  0.109238D+01 -0.330971D+00
               161           162           163           164           165 
      1   0.704261D+01 -0.225056D+02  0.863469D+01  0.235189D+02 -0.836624D+01
      2  -0.400160D+01  0.188878D+02 -0.220810D+02 -0.108187D+02 -0.333223D+01
      3  -0.304101D+01  0.361772D+01  0.134463D+02 -0.127001D+02  0.116985D+02
      4  -0.146748D+02  0.474566D+01  0.205176D+02 -0.208004D+02  0.971287D+01
      5   0.509585D+01  0.315393D+02 -0.838041D+01  0.219313D+01 -0.883559D+01
      6   0.543039D+00  0.182089D+01  0.399720D+01 -0.607537D+01  0.820097D+01
               166           167           168           169           170 
      1   0.238715D+02 -0.928091D+01 -0.705618D+00 -0.103555D+02  0.147773D+01
      2  -0.117867D+02  0.771321D+01  0.966307D+01 -0.450601D+01  0.125749D+02
      3  -0.120848D+02  0.156769D+01 -0.895746D+01  0.148616D+02 -0.140526D+02
      4  -0.171410D+02 -0.682714D+01 -0.135610D+02  0.123551D+02 -0.164066D+02
      5   0.172477D+01 -0.110912D+02  0.211310D+01 -0.122115D+02  0.657009D+01
      6  -0.521254D+01  0.119495D+02  0.224675D-01  0.107208D+02 -0.393590D+01
               171           172           173           174           175 
      1  -0.371966D+01 -0.576568D+01  0.741037D+01 -0.113648D+02  0.595055D+01
      2   0.111289D+02 -0.859906D+00 -0.390088D+01 -0.347406D+01 -0.391136D+01
      3  -0.740923D+01  0.662559D+01 -0.350949D+01  0.148389D+02 -0.203919D+01
      4   0.121846D+02 -0.726726D+01  0.557550D+01 -0.452582D+01  0.600436D+01
      5   0.241444D+02  0.184832D+02 -0.100736D+02  0.119199D+02 -0.106972D+02
      6  -0.185308D+02 -0.145221D+02  0.120448D+02 -0.110110D+02  0.102538D+02
               176           177           178           179           180 
      1  -0.108047D+02  0.853536D+01 -0.570805D+01  0.516091D+01 -0.931275D+01
      2   0.605260D+01 -0.103598D+01 -0.260298D+01  0.674886D-01 -0.278602D+01
      3   0.475206D+01 -0.749938D+01  0.831103D+01 -0.522840D+01  0.120988D+02
      4  -0.383407D+01  0.121663D+01 -0.254224D+01  0.103233D+01 -0.239961D+01
      5   0.566395D+01 -0.461484D+01  0.831058D+01 -0.356977D+01  0.769104D+01
      6  -0.138437D+02  0.142116D+02 -0.635350D+01  0.904551D+01 -0.869294D+01
               181           182           183           184           185 
      1   0.723072D+01 -0.877498D-01  0.363509D+01  0.105540D+01 -0.515797D+01
      2  -0.729992D+01  0.420366D-01  0.733251D+01  0.504387D-01  0.280821D+01
      3   0.691991D-01  0.457132D-01 -0.109676D+02 -0.110584D+01  0.234975D+01
      4   0.137258D+02  0.108378D+02 -0.808835D+01  0.103537D+02  0.981644D+01
      5  -0.238154D+02 -0.133767D+02  0.187217D+02 -0.129863D+02 -0.105616D+02
      6  -0.135143D+02 -0.111116D+02  0.105345D+02 -0.924616D+01 -0.130073D+02
               186           187           188           189           190 
      1   0.542794D+01  0.164517D+01  0.292860D+01 -0.421949D+01 -0.221574D+01
      2   0.616305D+00  0.495858D+01  0.115828D+01 -0.561046D+01 -0.194093D+01
      3  -0.604425D+01 -0.660375D+01 -0.408688D+01  0.982995D+01  0.415666D+01
      4  -0.657948D+01 -0.467454D+01 -0.408464D+01  0.566125D+01 -0.366342D+00
      5   0.890797D+01  0.132679D+02  0.658457D+01 -0.127509D+02 -0.855459D+00
      6   0.134550D+02  0.659548D+01  0.901168D+01 -0.850465D+01  0.106689D+01
               191           192           193           194           195 
      1  -0.681023D+00 -0.227911D+01 -0.109194D+01 -0.876143D+01 -0.139809D+02
      2  -0.455007D+00  0.318074D+00 -0.291377D+00 -0.361461D+01 -0.110233D+02
      3   0.113603D+01  0.196104D+01  0.138331D+01  0.123760D+02  0.250041D+02
      4   0.286916D+01 -0.186268D+00  0.299881D+01 -0.605487D+01 -0.310481D+01
      5   0.178255D+01  0.694657D+01  0.366737D+01 -0.267090D+01 -0.444061D+01
      6   0.859103D+00  0.700329D+00  0.672348D+00  0.212748D+02  0.155528D+02
               196           197           198           199           200 
      1  -0.140260D+01 -0.755481D+01 -0.139706D+02  0.388465D+01  0.588786D+01
      2   0.315488D+00 -0.717044D+01 -0.130431D+02  0.144983D+00 -0.811447D+00
      3   0.108712D+01  0.147253D+02  0.270137D+02 -0.402963D+01 -0.507642D+01
      4   0.889206D-01 -0.244888D+01 -0.317132D+01  0.727015D+01  0.106954D+02
      5   0.556909D+01 -0.273804D+01 -0.457861D+01  0.382569D+01  0.846664D+00
      6   0.282657D+00  0.123997D+02  0.128548D+02  0.552578D+00  0.583275D-01
               201           202           203           204           205 
      1   0.419790D+01  0.142051D+02  0.360750D+01 -0.174792D+01  0.762638D+01
      2  -0.168416D+01 -0.439301D+01  0.965965D+01  0.226413D+01 -0.300217D+01
      3  -0.251373D+01 -0.981210D+01 -0.132672D+02 -0.516212D+00 -0.462421D+01
      4   0.127125D+01  0.171108D+02  0.417465D+02  0.733935D+01  0.206411D+01
      5   0.332613D+01 -0.326663D+00  0.700957D+01  0.694210D+01  0.571137D+01
      6   0.457147D+00 -0.472449D+00 -0.234879D-01  0.364685D+01  0.628816D+00
               206           207           208           209           210 
      1  -0.184794D+00  0.191211D+01  0.642486D+02 -0.164148D+02  0.177700D+02
      2   0.121486D+01 -0.144137D+01 -0.319658D+02  0.759528D+01 -0.922110D+01
      3  -0.103006D+01 -0.470742D+00 -0.322828D+02  0.881948D+01 -0.854888D+01
      4   0.806759D+01  0.560251D+01 -0.173822D+02  0.117312D+02 -0.457048D+01
      5   0.565877D+01  0.105930D+01  0.189629D+02 -0.468910D+01  0.146968D+02
      6   0.329997D+01  0.136153D+01 -0.392622D+00  0.519109D+00 -0.356779D+00
               211           212           213           214           215 
      1  -0.295719D+02  0.121417D+02 -0.604363D+01  0.307365D+02 -0.617118D+01
      2   0.137580D+02 -0.329190D+01  0.311558D+01 -0.160423D+02  0.306314D+01
      3   0.158140D+02 -0.884983D+01  0.292805D+01 -0.146942D+02  0.310804D+01
      4   0.173098D+02 -0.122224D+02  0.737409D+01 -0.751569D+01  0.923147D+01
      5  -0.740904D+01  0.723794D+01 -0.834513D+01  0.219373D+02 -0.663714D+01
      6   0.129366D+01 -0.107097D+01  0.171320D+01 -0.120106D+01  0.184530D+01
               216           217           218           219           220 
      1   0.158172D+02  0.184011D+02 -0.253266D+01 -0.117241D+02 -0.577105D+01
      2  -0.109526D+02 -0.127686D+02  0.134512D+01  0.917791D+01  0.334836D+01
      3  -0.486469D+01 -0.563259D+01  0.118754D+01  0.254616D+01  0.242269D+01
      4  -0.611760D+01 -0.171655D+01  0.357416D+01 -0.141947D+01  0.643405D+01
      5   0.130622D+02 -0.160389D+02 -0.975688D+00  0.189511D+02 -0.170910D-01
      6  -0.161772D+01 -0.571740D+00 -0.104470D+01  0.956012D+00 -0.215916D+01
               221           222           223           224           225 
      1   0.236872D+01 -0.717903D+00 -0.216388D+02 -0.198163D+01  0.125997D+02
      2  -0.152349D+01  0.672351D-01  0.173649D+02  0.109144D+01 -0.215779D+02
      3  -0.845234D+00  0.650668D+00  0.427391D+01  0.890194D+00  0.897819D+01
      4   0.169460D+01 -0.573469D+01 -0.229984D+01 -0.700932D+01 -0.697693D-01
      5  -0.534323D+01 -0.195351D+01  0.309322D+02 -0.336374D+00 -0.483345D+02
      6   0.228332D+00  0.415830D+01  0.101622D+01  0.423021D+01 -0.274180D+01
               226           227           228           229           230 
      1  -0.151673D+02 -0.172539D+02  0.275340D+00 -0.134372D+02 -0.182455D+02
      2   0.154991D+02  0.206659D+02  0.547393D+00  0.145688D+02  0.254247D+02
      3  -0.331753D+00 -0.341203D+01 -0.822733D+00 -0.113161D+01 -0.717918D+01
      4   0.899139D+01  0.208670D+01 -0.257409D+01  0.622073D+01 -0.189097D+00
      5   0.497423D+01  0.104069D+01 -0.348822D+00  0.198729D+01  0.281115D+01
      6  -0.199918D+00  0.385023D+01  0.386543D+01  0.170973D+01  0.197266D+01
               231           232           233           234           235 
      1  -0.296438D+00  0.217924D+01  0.413430D+00 -0.390847D+01  0.374216D+01
      2  -0.857983D+00 -0.351895D+00 -0.315881D+01  0.222276D+01 -0.231158D+01
      3   0.115442D+01 -0.182735D+01  0.274538D+01  0.168570D+01 -0.143058D+01
      4   0.836468D+00 -0.246616D+01  0.295028D+01 -0.286954D+00 -0.741479D+01
      5  -0.852800D+00  0.923657D+00 -0.152913D+01 -0.158670D+01 -0.842449D+01
      6   0.393112D+01  0.209499D+01  0.428293D+01  0.144414D+01  0.460202D+01
               236           237           238           239           240 
      1  -0.274761D+01 -0.420154D+01 -0.446459D+00 -0.171219D+01 -0.329891D+01
      2   0.271240D+00  0.515556D+01 -0.934925D+00  0.501356D+00  0.382269D+01
      3   0.247637D+01 -0.954014D+00  0.138138D+01  0.121084D+01 -0.523773D+00
      4   0.751983D+01  0.537789D+01  0.471831D+01 -0.254403D+01 -0.446742D+01
      5   0.331960D+01  0.119019D+02  0.743753D+00 -0.440681D+01 -0.286365D+01
      6  -0.221241D+01 -0.659088D+01 -0.165294D+01  0.446401D+01  0.821826D+01
               241           242           243           244           245 
      1  -0.406369D+01 -0.522934D+01 -0.891013D+01  0.247025D+02 -0.119412D+02
      2   0.602604D+01  0.440210D+01 -0.122197D+02  0.678876D+00 -0.795653D+01
      3  -0.196236D+01  0.827240D+00  0.211299D+02 -0.253813D+02  0.198977D+02
      4   0.791666D+01 -0.993871D+01 -0.130841D+02 -0.353018D+02  0.317716D+02
      5   0.153716D+02 -0.103062D+02 -0.341317D+02  0.543381D+01 -0.290944D+01
      6  -0.948757D+01  0.142116D+02  0.293157D+02 -0.520546D+01  0.329060D+01
               246           247           248           249           250 
      1   0.611282D+01 -0.799161D+01  0.340809D+01 -0.326570D+00  0.968696D+01
      2   0.350967D+00 -0.752001D+01  0.164353D+02 -0.469194D+01  0.794633D+00
      3  -0.646379D+01  0.155116D+02 -0.198434D+02  0.501851D+01 -0.104816D+02
      4  -0.814356D+01  0.249530D+02 -0.284276D+02  0.805718D+01 -0.150963D+02
      5   0.793476D+01 -0.233890D+01  0.515194D+01 -0.386970D+01  0.917361D+01
      6  -0.707239D+01  0.330669D+01 -0.531358D+01  0.509311D+01 -0.782718D+01
               251           252           253           254           255 
      1  -0.171489D+01  0.370652D+01 -0.126561D+02  0.923192D+01 -0.183398D+01
      2  -0.861597D+01  0.925660D-01  0.516952D+01 -0.212343D+01  0.121664D+01
      3   0.103309D+02 -0.379908D+01  0.748656D+01 -0.710849D+01  0.617339D+00
      4   0.166196D+02 -0.107096D+02  0.116952D+02 -0.126561D+02 -0.751155D+00
      5  -0.717433D+01  0.557295D+01 -0.158184D+01 -0.563831D+00 -0.166520D+02
      6   0.767013D+01 -0.555550D+01  0.237702D+00 -0.235255D+00  0.212324D+01
               256           257           258           259           260 
      1  -0.124160D+01 -0.186287D+01 -0.223420D+01 -0.705366D+00 -0.748544D+00
      2  -0.198736D+01 -0.105411D+02  0.181964D+00  0.190413D+00  0.179194D+01
      3   0.322896D+01  0.124040D+02  0.205223D+01  0.514953D+00 -0.104340D+01
      4  -0.272386D+02 -0.378612D+02  0.197755D+01  0.205490D+01  0.331281D+01
      5   0.975055D+00  0.176448D+01 -0.111980D+02  0.442741D+01 -0.487108D+01
      6  -0.102627D+01  0.717706D+00 -0.835537D+01  0.904234D+00  0.372600D+01
               261           262           263           264           265 
      1  -0.314528D+01 -0.277701D+02 -0.341010D+02  0.320327D+01 -0.524720D+02
      2  -0.547278D+01  0.182388D+02  0.155947D+02 -0.208620D+01  0.256538D+02
      3   0.861806D+01  0.953127D+01  0.185063D+02 -0.111707D+01  0.268182D+02
      4  -0.463423D+01 -0.373091D+02  0.596443D+01  0.127565D+01 -0.548647D+01
      5   0.351723D+01  0.320750D+01  0.111614D+01  0.519861D+01  0.108761D+01
      6   0.190855D+01 -0.917462D+00 -0.476308D+00 -0.228167D+01 -0.171765D+00
               266           267           268           269           270 
      1  -0.310055D+01  0.191250D+01  0.608797D+01  0.224939D+01  0.449876D+01
      2   0.258608D+01 -0.341057D+01 -0.229803D+01 -0.416324D+01 -0.482081D+01
      3   0.514471D+00  0.149807D+01 -0.378993D+01  0.191385D+01  0.322047D+00
      4   0.189750D+02  0.344199D+01  0.180318D+01  0.439386D+01  0.354800D+02
      5   0.382875D+01  0.312206D+02 -0.855001D+01  0.374947D+02 -0.885906D+01
      6  -0.191603D+01 -0.106119D+02  0.504676D+01 -0.139589D+02  0.295937D+01
               271           272           273           274           275 
      1   0.163364D+02  0.123042D+02 -0.176485D+01  0.370289D+02 -0.112549D+02
      2  -0.544617D+01 -0.395203D+01  0.611230D+00 -0.108313D+02  0.324562D+02
      3  -0.108903D+02 -0.835218D+01  0.115362D+01 -0.261975D+02 -0.212013D+02
      4   0.190905D+02  0.202975D+02 -0.503297D+00  0.345106D+02  0.723482D+02
      5  -0.125832D+01 -0.425518D+00  0.107301D+02 -0.692142D-01 -0.292187D+01
      6  -0.260245D+00  0.120575D+00  0.616177D+00  0.899878D+00 -0.330462D+00
               276           277           278           279           280 
      1   0.193158D+01 -0.366449D+01  0.961543D+00 -0.892601D-01  0.722729D+01
      2  -0.990551D+00  0.167840D+01 -0.131534D+01  0.589846D+00 -0.436430D+01
      3  -0.941033D+00  0.198610D+01  0.353799D+00 -0.500586D+00 -0.286299D+01
      4  -0.295524D+01 -0.156918D+01 -0.408110D+01  0.163415D+02 -0.227547D+01
      5   0.161329D+02  0.134448D+02  0.153926D+02 -0.441447D+01  0.831636D+01
      6   0.144962D+02  0.348680D+01  0.113684D+02 -0.213463D+01 -0.342832D+01
               281           282           283           284           285 
      1  -0.287904D+01  0.893330D+01 -0.679658D+01 -0.397037D+00  0.200324D+01
      2   0.153865D+01 -0.420128D+01  0.216899D+01  0.498248D+01 -0.236304D+01
      3   0.134039D+01 -0.473202D+01  0.462759D+01 -0.458544D+01  0.359801D+00
      4   0.237534D+01 -0.347251D+01  0.135117D+02 -0.281473D+02  0.155220D+02
      5  -0.278881D+01  0.429472D+01 -0.641561D+01  0.159716D+02 -0.208977D+02
      6   0.237874D+00 -0.172444D+00  0.298961D+01 -0.924107D+01  0.105968D+02
               286           287           288           289           290 
      1   0.175939D+02 -0.800243D-01 -0.278548D+01  0.989977D+02  0.193465D+02
      2  -0.987932D+01 -0.631242D+00 -0.467288D+01 -0.526501D+02 -0.110838D+02
      3  -0.771462D+01  0.711267D+00  0.745836D+01 -0.463476D+02 -0.826261D+01
      4  -0.118819D+02  0.202257D+02 -0.228731D+02  0.143687D+02  0.139584D+02
      5   0.163767D+02 -0.243355D+02  0.410065D+02 -0.154089D+01 -0.300685D+00
      6  -0.491300D+01  0.121988D+02 -0.145950D+02  0.869444D+00  0.341375D+00
               291           292           293           294           295 
      1  -0.240879D+01  0.395040D+02  0.158078D+02 -0.741652D+00 -0.549766D+01
      2   0.120878D+01 -0.211294D+02 -0.777652D+01  0.623093D+00  0.285329D+01
      3   0.120001D+01 -0.183746D+02 -0.803129D+01  0.118559D+00  0.264437D+01
      4  -0.325882D+00  0.173237D+02  0.142817D+02 -0.107833D+01 -0.494111D+00
      5   0.129875D+02 -0.355761D+00 -0.100244D+01  0.402786D+01  0.153485D+02
      6  -0.622096D+00  0.380106D+00  0.460759D+00  0.192904D+01 -0.358998D+00
               296           297           298           299           300 
      1  -0.909343D+00  0.111437D+02  0.625016D+01 -0.382801D+01 -0.798860D+01
      2   0.848667D+00 -0.668516D+01 -0.263605D+01  0.214649D+01  0.370681D+01
      3   0.606763D-01 -0.445856D+01 -0.361411D+01  0.168152D+01  0.428179D+01
      4  -0.154966D+01 -0.238345D-01 -0.258652D+01  0.211125D+01  0.271070D+01
      5   0.440569D+00 -0.733256D+00 -0.704207D+01  0.192136D+01  0.207712D+01
      6   0.251487D+01 -0.137414D+00  0.336539D+01  0.200379D+00  0.316504D+00
               301           302           303           304           305 
      1  -0.905955D+01 -0.151772D+01 -0.307555D+01 -0.165032D+02 -0.107000D+01
      2   0.248775D+01  0.967695D+01  0.500797D+01  0.796260D+01  0.396693D+01
      3   0.657181D+01 -0.815923D+01 -0.193242D+01  0.854061D+01 -0.289693D+01
      4   0.153992D+02 -0.362841D+02 -0.167146D+02  0.106570D+02 -0.222367D+02
      5   0.511704D+01 -0.176188D+02 -0.209831D+02  0.122695D+02 -0.236963D+02
      6  -0.267070D+01  0.101430D+02  0.101029D+02 -0.414604D+01  0.118258D+02
               306 
      1  -0.289372D+01
      2  -0.245640D+00
      3   0.313936D+01
      4  -0.221547D+02
      5  -0.293280D+02
      6   0.117236D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x         -0.399882D+00     -0.101640D+01     -0.339034D+01
   y         -0.682884D+00     -0.173572D+01     -0.578973D+01
   z          0.429923D-01      0.109275D+00      0.364504D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.158276D+03      0.234541D+02      0.260962D+02
   yx        -0.240980D+01     -0.357096D+00     -0.397323D+00
   yy         0.133105D+03      0.197241D+02      0.219461D+02
   zx        -0.747736D+00     -0.110803D+00     -0.123285D+00
   zy        -0.361990D+00     -0.536414D-01     -0.596841D-01
   zz         0.127568D+03      0.189036D+02      0.210331D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143525D+03      0.212681D+02      0.236640D+02
   aniso      0.285341D+02      0.422832D+01      0.470464D+01
   xx         0.162103D+03      0.240212D+02      0.267271D+02
   yx        -0.184154D+01     -0.272888D+00     -0.303628D+00
   yy         0.137130D+03      0.203206D+02      0.226097D+02
   zx        -0.777433D+00     -0.115204D+00     -0.128181D+00
   zy        -0.398622D+00     -0.590697D-01     -0.657239D-01
   zz         0.131341D+03      0.194627D+02      0.216551D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.34695539         -2.31069830          3.00693544
     6          0.03945243         -0.67474234          3.50351449
     6         -3.51318183         -1.05140682          0.65840305
     6         -1.76681862         -1.66169624         -1.58772636
     6          0.53733811          0.07168775         -1.10622672
     6         -0.05989549          1.37756853          1.42362544
     1         -3.63933844         -2.27305025          4.60982776
     1         -1.88515324         -4.28626128          2.64759821
     1          1.78335553         -1.75617724          3.39220290
     1         -0.01086082          0.20118038          5.36677333
     6         -2.97942034          1.79879542          1.12318670
     1         -5.49063769         -1.53145194          0.33654259
     1         -2.62723785         -1.25132595         -3.40940302
     1         -1.20422537         -3.64270666         -1.61150070
     1          0.76715778          1.44793784         -2.61387263
     8          2.90101757         -1.28117164         -0.91875038
     6          1.56922386          3.67089415          1.94901378
     6         -4.25097632          2.86656971          3.49082437
     6         -3.73912729          3.51006932         -1.08623449
     1          3.55697880          3.13338197          2.08104736
     1          1.04425832          4.56627264          3.73147236
     1          1.39916625          5.07814373          0.44897471
     1         -3.77933215          1.84906818          5.21222330
     1         -6.30279431          2.80858322          3.27245649
     1         -3.71932848          4.84102964          3.76701742
     1         -2.99857373          2.90837450         -2.90629655
     1         -3.09662191          5.44331854         -0.75827108
     1         -5.79583413          3.56853285         -1.24864692
     6          3.96889239         -2.01437686         -3.10785903
     6          6.42230969         -3.37242435         -2.63578167
     8          3.05601585         -1.62477918         -5.15752291
     1          7.70758109         -2.16007553         -1.57472492
     1          7.27041796         -3.90321399         -4.42796785
     1          6.07971368         -5.05539624         -1.49529810

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.792518D+00      0.201438D+01      0.671925D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.147263D+03      0.218221D+02      0.242804D+02
   yx        -0.114901D+02     -0.170266D+01     -0.189447D+01
   yy         0.134209D+03      0.198878D+02      0.221281D+02
   zx        -0.838645D+01     -0.124274D+01     -0.138274D+01
   zy         0.508694D+01      0.753806D+00      0.838722D+00
   zz         0.137477D+03      0.203719D+02      0.226668D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143525D+03      0.212681D+02      0.236640D+02
   aniso      0.285341D+02      0.422832D+01      0.470464D+01
   xx         0.150747D+03      0.223384D+02      0.248548D+02
   yx        -0.113193D+02     -0.167735D+01     -0.186630D+01
   yy         0.137877D+03      0.204313D+02      0.227329D+02
   zx        -0.854743D+01     -0.126660D+01     -0.140928D+01
   zy         0.519114D+01      0.769248D+00      0.855904D+00
   zz         0.141950D+03      0.210348D+02      0.234043D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-24\Freq\RM11\Gen\C12H20O2\PIERPA\22-Jul-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-1.240639,-1.2205
 21,-1.593952\C,-0.772379,-1.711714,-0.196556\C,-1.356487,0.301932,-1.3
 98559\C,0.077396,0.849484,-1.275021\C,0.495406,0.398364,0.144405\C,-0.
 70479,-0.420476,0.653009\H,-2.195583,-1.663465,-1.875848\H,-0.528201,-
 1.466626,-2.381766\H,0.193323,-2.210778,-0.227221\H,-1.481233,-2.41324
 9,0.242895\C,-1.88835,0.419572,0.056917\H,-1.959508,0.80511,-2.154682\
 H,0.128882,1.932113,-1.369936\H,0.741881,0.427523,-2.028774\H,0.689863
 ,1.251037,0.790022\O,1.689332,-0.414672,0.16404\C,-0.691646,-0.656663,
 2.148773\C,-3.263934,-0.215407,0.272245\C,-1.976808,1.860613,0.570939\
 H,0.188258,-1.234779,2.438218\H,-1.57369,-1.214726,2.46804\H,-0.66649,
 0.284659,2.701973\H,-3.312198,-1.262484,-0.01636\H,-4.016543,0.322861,
 -0.308315\H,-3.555175,-0.148366,1.322428\H,-1.062281,2.434735,0.442068
 \H,-2.228382,1.873406,1.633417\H,-2.771733,2.392658,0.043778\C,2.86247
 9,0.235712,0.052007\C,4.017566,-0.72749,0.101407\O,2.958317,1.430494,-
 0.072931\H,3.985571,-1.30206,1.027842\H,4.952347,-0.178454,0.034385\H,
 3.942814,-1.436137,-0.724719\\Version=ES64L-G16RevA.03\State=1-A\HF=-6
 20.089649\RMSD=6.686e-09\RMSF=1.285e-05\ZeroPoint=0.3023462\Thermal=0.
 3168827\Dipole=-0.3998819,-0.6828843,0.0429923\DipoleDeriv=0.1391452,0
 .031452,-0.0140674,0.0210828,-0.0050667,0.0331508,-0.0139158,0.0256004
 ,0.0598177,0.0886784,0.0374395,-0.0264293,0.0051623,0.0356695,-0.03640
 08,-0.0207832,-0.0415216,-0.0143256,0.0655856,-0.0402185,0.0599055,-0.
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 0000128\\\@


 THE ENLIGHTENED ONE, BECAUSE HE SAW MANKIND DROWNING  
 IN THE GREAT SEA OF BIRTH, DEATH, AND SORROW, LONGED TO SAVE 
 THEM, FOR THIS HE WAS MOVED TO PITY.                         
 BECAUSE HE SAW MEN OF THE WORLD STRAYING IN FALSE PATHS, AND 
 NONE TO GUIDE THEM, FOR THIS HE WAS MOVED TO PITY.           
                     ..................                       
 BECAUSE HE SAW THE MEN OF THE WORLD PLOUGHING THEIR FIELDS,  
 SOWING THE SEED, TRAFFICKING, HUCKSTERING, BUYING, SELLING,  
 AND AT THE END WINNOWING NOTHING BUT BITTERNESS,             
 FOR THIS HE WAS MOVED TO PITY......                   
                   BUDAH'S PITY - UPSAKA SILA SUTRA           
 Job cpu time:       0 days 12 hours 11 minutes  9.8 seconds.
 Elapsed time:       0 days  1 hours  1 minutes  5.5 seconds.
 File lengths (MBytes):  RWF=    587 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 20:29:25 2021.
